Life Beyond Kinases: Structure-Based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors

VMD: visual molecular dynamics

Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952 · see citing works

UCSF Chimera—A visualization system for exploratory research and analysis

Pettersen, E. F., Goddard, T. D., Huang, C. C., Couch, G. S., Greenblatt, D. M., Meng, E. C., & Ferrin, T. E. (2004) · Journal of Computational Chemistry · doi:10.1002/jcc.20084 · Cited by 45,260 · see citing works

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

Darden, T., York, D., & Pedersen, L. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464397 · Cited by 29,588 · see citing works

Untitled work

(1996) · Cited by 20,179 · see citing works

Comparative Protein Modelling by Satisfaction of Spatial Restraints

Šali, A., & Blundell, T. L. (1993) · Journal of Molecular Biology · doi:10.1006/jmbi.1993.1626 · Cited by 12,977 · see citing works

Crystal Structure of Rhodopsin: A G Protein-Coupled Receptor

Palczewski, K., Kumasaka, T., Hori, T., Behnke, C. A., Motoshima, H., Fox, B. A., Trong, I. L., Teller, D. C., Okada, T., Stenkamp, R. E., et al. (2000) · Science · doi:10.1126/science.289.5480.739 · Cited by 5,637 · see citing works

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058 · see citing works

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

Bowers, K., Chow, E., Xu, H.-G., Dror, R., Eastwood, M., Gregersen, B. A., Klepeis, J., Kolossváry, I., Moraes, M. A., Sacerdoti, F. D., et al. (2006) · International Conference on Software Composition · doi:10.1145/1188455.1188544 · Cited by 3,905 · see citing works

DrugBank: a comprehensive resource for in silico drug discovery and exploration

Wishart, D. S. (2006) · Nucleic Acids Research · doi:10.1093/nar/gkj067 · Cited by 3,892 · see citing works

CDD: a Conserved Domain Database for the functional annotation of proteins

Marchler‐Bauer, A., Lu, S., Anderson, J. B., Chitsaz, F., Derbyshire, M. K., DeWeese-Scott, C., Fong, J. H., Geer, L. Y., Geer, R. C., Gonzales, N. R., et al. (2010) · Nucleic Acids Research · doi:10.1093/nar/gkq1189 · Cited by 3,126 · see citing works

Mechanism of Activation of the RAF-ERK Signaling Pathway by Oncogenic Mutations of B-RAF

Wan, P., Garnett, M. J., Roe, S. M., Lee, S., Niculescu‐Duvaz, D., Good, V. M., Cancer Genome Project, Jones, C. M., Marshall, C. J., Springer, C. J., et al. (2004) · Cell · doi:10.1016/s0092-8674(04)00215-6 · Cited by 2,800 · see citing works

A hierarchical approach to all‐atom protein loop prediction

Jacobson, M. P., Pincus, D. L., Rapp, C. S., Day, T., Honig, B. H., Shaw, D. E., & Friesner, R. A. (2004) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.10613 · Cited by 2,541 · see citing works

A quantitative analysis of kinase inhibitor selectivity

Karaman, M. W., Herrgard, S., Treiber, D. K., Gallant, P., Atteridge, C. E., Campbell, B. T., Chan, K. W., Ciceri, P., Davis, M. I., Edeen, P. T., et al. (2008) · Nature Biotechnology · doi:10.1038/nbt1358 · Cited by 2,466 · see citing works

Relating protein pharmacology by ligand chemistry

Keiser, M. J., Roth, B. L., Armbruster, B. N., Ernsberger, P., Irwin, J. J., & Shoichet, B. K. (2007) · Nature Biotechnology · doi:10.1038/nbt1284 · Cited by 2,402 · see citing works

Novel procedure for modeling ligand/receptor induced fit effects.

Sherman, W., Day, T., Jacobson, M., Friesner, R., & Farid, R. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm050540c · Cited by 1,998 · see citing works

A small molecule–kinase interaction map for clinical kinase inhibitors

Fabian, M. A., Biggs, W., Treiber, D. K., Atteridge, C. E., Azimioara, M. D., Benedetti, M. G., Carter, T. A., Ciceri, P., Edeen, P. T., Floyd, M. B., et al. (2005) · Nature Biotechnology · doi:10.1038/nbt1068 · Cited by 1,901 · see citing works

Predicting new molecular targets for known drugs

Keiser, M. J., Setola, V., Irwin, J. J., Laggner, C., Abbas, A. I., Hufeisen, S. J., Jensen, N. H., Kuijer, M. B., Matos, R. C., Tran, T. B., et al. (2009) · Nature · doi:10.1038/nature08506 · Cited by 1,667 · see citing works

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

Banks, J. L., Beard, H. S., Cao, Y., Cho, A. E., Damm, W., Farid, R., Felts, A. K., Halgren, T. A., Mainz, D. T., Maple, J. R., et al. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20292 · Cited by 1,498 · see citing works

A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations

Kr�utler, V., A, W. F. V. G., & Hünenberger, P. H. (2001) · Journal of Computational Chemistry · doi:10.1002/1096-987x(20010415)22:5 · Cited by 1,444 · see citing works

Glivec (STI571, imatinib), a rationally developed, targeted anticancer drug

Capdeville, R., Buchdunger, E., Zimmermann, J., & Matter, A. (2002) · Nature Reviews Drug Discovery · doi:10.1038/nrd839 · Cited by 1,391 · see citing works

Benchmarking sets for molecular docking.

Huang, N., Shoichet, B. K., & Irwin, J. J. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm0608356 · Cited by 1,318 · see citing works

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

Roth, B. L., Sheffler, D. J., & Kroeze, W. K. (2004) · Nature Reviews Drug Discovery · doi:10.1038/nrd1346 · Cited by 1,155 · see citing works

Proceedings of the Second International Conference on Knowledge Discovery and Data Mining

Simoudis, E., Han, J., & Fayyad, U. M. (1996) · Cited by 1,121 · see citing works

GPCRdb: an information system for G protein-coupled receptors

Ísberg, V., Mordalski, S., Munk, C., Rataj, K., Harpsøe, K., Hauser, A. S., Vroling, B., Bojarski, A. J., Vriend, G., & Gloriam, D. E. I. (2015) · Nucleic Acids Research · doi:10.1093/nar/gkv1178 · Cited by 1,067 · see citing works

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

Liu, X., Ouyang, S., Yu, B., Liu, Y., Huang, K., Gong, J., Zheng, S., Li, Z., Li, H., & Jiang, H. (2010) · Nucleic Acids Research · doi:10.1093/nar/gkq300 · Cited by 977 · see citing works

A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor

Hanson, M. A., Cherezov, V., Griffith, M. T., Roth, C., Jaakola, V., Chien, E. Y. T., Velasquez, J., Kühn, P., & Stevens, R. C. (2008) · Structure · doi:10.1016/j.str.2008.05.001 · Cited by 935 · see citing works

Serotonin Receptors

Nichols, D. E., & Nichols, C. D. (2008) · Chemical Reviews · doi:10.1021/cr078224o · Cited by 895 · see citing works

Target-based drug discovery: is something wrong?

Sams‐Dodd, F. (2005) · Drug Discovery Today · doi:10.1016/s1359-6446(04)03316-1 · Cited by 522 · see citing works

Drugs and Valvular Heart Disease

Roth, B. L. (2007) · New England Journal of Medicine · doi:10.1056/nejmp068265 · Cited by 479 · see citing works

Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

Weber, A., Casini, A., Heine, A., Kühn, D., Supuran, C. T., Scozzafava, A., & Klebe, G. (2003) · Journal of Medicinal Chemistry · doi:10.1021/jm030912m · Cited by 455 · see citing works

GPCRDB: an information system for G protein-coupled receptors

Horn, F. (1998) · Nucleic Acids Research · doi:10.1093/nar/26.1.275 · Cited by 338 · see citing works

The Binding Site of Aminergic G Protein–Coupled Receptors: The Transmembrane Segments and Second Extracellular Loop

Shi, L., & Javitch, J. A. (2002) · The Annual Review of Pharmacology and Toxicology · doi:10.1146/annurev.pharmtox.42.091101.144224 · Cited by 318 · see citing works

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

Carlsson, J., Coleman, R. G., Setola, V., Irwin, J. J., Fan, H., Schlessinger, A., Šali, A., Roth, B. L., & Shoichet, B. K. (2011) · Nature Chemical Biology · doi:10.1038/nchembio.662 · Cited by 305 · see citing works

Flexible ligand docking using conformational ensembles

Lorber, D. M., & Shoichet, B. K. (1998) · Protein Science · doi:10.1002/pro.5560070411 · Cited by 294 · see citing works

Automated Docking Screens: A Feasibility Study

Irwin, J. J., Shoichet, B. K., Mysinger, M. M., Huang, N., Colizzi, F., Wassam, P., & Cao, Y. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm9006966 · Cited by 288 · see citing works

5-Hydroxytryptamine2-Family Receptors (5-Hydroxytryptamine2A, 5-Hydroxytryptamine2B, 5-Hydroxytryptamine2C) Where Structure Meets Function

Roth, B. L. (1998) · Pharmacology & Therapeutics · doi:10.1016/s0163-7258(98)00019-9 · Cited by 283 · see citing works

Molecular mechanics methods for predicting protein–ligand binding

Huang, N., Kalyanaraman, C., Bernacki, K., & Jacobson, M. P. (2006) · Physical Chemistry Chemical Physics · doi:10.1039/b608269f · Cited by 241 · see citing works

A model binding site for testing scoring functions in molecular docking.

Wei, B. Q., Baase, W. A., Weaver, L. H., Matthews, B. W., & Shoichet, B. K. (2002) · Journal of Molecular Biology · doi:10.1016/s0022-2836(02)00777-5 · Cited by 237 · see citing works

Structure-based Drug Discovery Using GPCR Homology Modeling: Successful Virtual Screening for Antagonists of the Alpha1A Adrenergic Receptor

Evers, A., & Klabunde, T. (2005) · Journal of Medicinal Chemistry · doi:10.1021/jm0491804 · Cited by 234 · see citing works

Serotonin promotes tumor growth in human hepatocellular cancer†

Soll, C., Jang, J. H., Riener, M., Moritz, W., Wild, P. J., Graf, R., & Clavien, P. (2009) · Hepatology · doi:10.1002/hep.23441 · Cited by 220 · see citing works

A chemogenomic analysis of the transmembrane binding cavity of human G‐protein‐coupled receptors

Surgand, J.-S., Rodrigo, J., Kellenberger, E., & Rognan, D. (2005) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.20768 · Cited by 220 · see citing works

Progress in Structure Based Drug Design for G Protein-Coupled Receptors

Congreve, M., LANGMEAD, C. J., Mason, J. S., & Marshall, F. H. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm200371q · Cited by 213 · see citing works

Functions of 5-HT2A receptor and its antagonists in the cardiovascular system

Nagatomo, T., Rashid, M., Muntasir, H. A., & Komiyama, T. (2004) · Pharmacology & Therapeutics · doi:10.1016/j.pharmthera.2004.08.005 · Cited by 186 · see citing works

Force Field Validation Using Protein Side Chain Prediction

Jacobson, M. P., Kaminski, G. A., Friesner, R. A., & Rapp, C. S. (2002) · The Journal of Physical Chemistry B · doi:10.1021/jp021564n · Cited by 182 · see citing works

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)

Warr, W. A. (2009) · Journal of Computer-Aided Molecular Design · doi:10.1007/s10822-009-9260-9 · Cited by 177 · see citing works

Physics-Based Scoring of Protein−Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening

Huang, N., Kalyanaraman, C., Irwin, J. J., & Jacobson, M. P. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci0502855 · Cited by 169 · see citing works

Mapping the Binding Site Pocket of the Serotonin 5-Hydroxytryptamine2A Receptor

Almaula, N., Ebersole, B. J., Zhang, D., Weinstein, H., & Sealfon, S. C. (1996) · Journal of Biological Chemistry · doi:10.1074/jbc.271.25.14672 · Cited by 147 · see citing works

The impact of GPCR structures on pharmacology and structure‐based drug design

Congreve, M., & Marshall, F. H. (2009) · British Journal of Pharmacology · doi:10.1111/j.1476-5381.2009.00476.x · Cited by 147 · see citing works

Hierarchical Docking of Databases of Multiple Ligand Conformations

Lorber, D. M., & Shoichet, B. K. (2005) · Current Topics in Medicinal Chemistry · doi:10.2174/1568026054637683 · Cited by 145 · see citing works

Modern Homology Modeling of G-Protein Coupled Receptors: Which Structural Template to Use?

Mobarec, J. C., Sánchez, R., & Filizola, M. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm9005252 · Cited by 139 · see citing works

Identification of Conserved Aromatic Residues Essential for Agonist Binding and Second Messenger Production at 5-Hydroxytryptamine2A Receptors

Roth, B. L., Shoham, M., Choudhary, M. S., & Khan, N. (1997) · Molecular Pharmacology · doi:10.1124/mol.52.2.259 · Cited by 133 · see citing works

On the Applicability of GPCR Homology Models to Computer-Aided Drug Discovery: A Comparison between In Silico and Crystal Structures of the β2-Adrenergic Receptor

Costanzi, S. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm800044k · Cited by 131 · see citing works

Molecular Modeling of the Three-Dimensional Structure of Dopamine 3 (D3) Subtype Receptor: Discovery of Novel and Potent D3Ligands through a Hybrid Pharmacophore- and Structure-Based Database Searching Approach

Varady, J., Wu, X., Fang, X., Ji, M., Hu, Z., Levant, B., & Wang, S. (2003) · Journal of Medicinal Chemistry · doi:10.1021/jm030085p · Cited by 130 · see citing works

Current and Novel Approaches to the Drug Treatment of Schizophrenia

Rowley, M., Bristow, L. J., & Hutson, P. H. (2001) · Journal of Medicinal Chemistry · doi:10.1021/jm0002432 · Cited by 129 · see citing works

Slow wave sleep in humans: Role of 5-HT2A and 5-HT2C receptors

Sharpley, A. L., Elliott, J. M., Attenburrow, M.-J., & Cowen, P. J. (1994) · Neuropharmacology · doi:10.1016/0028-3908(94)90077-9 · Cited by 121 · see citing works

A single point mutation (Phe340-->Leu340) of a conserved phenylalanine abolishes 4-[125I]iodo-(2,5-dimethoxy)phenylisopropylamine and [3H]mesulergine but not [3H]ketanserin binding to 5-hydroxytryptamine2 receptors.

Choudhary, M. S., Craigo, S., & Roth, B. L. (1993) · Molecular Pharmacology · doi:10.1016/s0026-895x(25)13653-5 · Cited by 119 · see citing works

Definition of the G Protein-Coupled Receptor Transmembrane Bundle Binding Pocket and Calculation of Receptor Similarities for Drug Design

Gloriam, D. E. I., Foord, S. M., Blaney, F. E., & Garland, S. L. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm900319e · Cited by 101 · see citing works

5-HT2A receptor gene polymorphisms in anorexia nervosa and bulimia nervosa

Nacmias, B., Ricca, V., Tedde, A., Mezzani, B., Rotella, C. M., & Sorbi, S. (1999) · Neuroscience Letters · doi:10.1016/s0304-3940(99)00859-9 · Cited by 101 · see citing works

Ligand‐Supported Homology Modeling of G‐Protein‐Coupled Receptor Sites: Models Sufficient for Successful Virtual Screening

Evers, A., & Klebe, G. (2003) · Angewandte Chemie International Edition · doi:10.1002/anie.200352776 · Cited by 93 · see citing works

Homology Modeling and Docking Evaluation of Aminergic G Protein-Coupled Receptors

McRobb, F. M., Capuano, B., Crosby, I. T., Chalmers, D. K., & Yuriev, E. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci900444q · Cited by 89 · see citing works

In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators

Xie, L., Wang, J., & Bourne, P. E. (2007) · PLoS Computational Biology · doi:10.1371/journal.pcbi.0030217 · Cited by 82 · see citing works

Antagonist Functional Selectivity: 5-HT2A Serotonin Receptor Antagonists Differentially Regulate 5-HT2A Receptor Protein Level In Vivo

Yadav, P. N., Kroeze, W. K., Farrell, M. S., & Roth, B. L. (2011) · Journal of Pharmacology and Experimental Therapeutics · doi:10.1124/jpet.111.183780 · Cited by 82 · see citing works

Virtual Screening against Highly Charged Active Sites: Identifying Substrates of Alpha−Beta Barrel Enzymes

Kalyanaraman, C., Bernacki, K., & Jacobson, M. P. (2005) · Biochemistry · doi:10.1021/bi0481186 · Cited by 80 · see citing works

Depletion of Serotonin and Selective Inhibition of 2B Receptor Suppressed Tumor Angiogenesis by Inhibiting Endothelial Nitric Oxide Synthase and Extracellular Signal-Regulated Kinase 1/2 Phosphorylation

Asada, M., Ebihara, S., Yamanda, S., Niu, K., Okazaki, T., Sora, I., & Arai, H. (2009) · Neoplasia · doi:10.1593/neo.81630 · Cited by 78 · see citing works

Contribution of a helix 5 locus to selectivity of hallucinogenic and nonhallucinogenic ligands for the human 5-hydroxytryptamine2A and 5-hydroxytryptamine2C receptors: direct and indirect effects on ligand affinity mediated by the same locus.

Almaula, N., Ebersole, B. J., Ballesteros, J. A., Weinstein, H., & Sealfon, S. C. (1996) · Molecular Pharmacology · doi:10.1016/s0026-895x(25)09149-7 · Cited by 73 · see citing works

Homology modeling of G-protein-coupled receptors with X-ray structures on the rise.

Yarnitzky, T., Levit, A., & Niv, M. Y. (2010) · PubMed · Cited by 70 · see citing works

The 5-HT2A serotonin receptor enhances cell viability, affects cell cycle progression and activates MEK–ERK1/2 and JAK2–STAT3 signalling pathways in human choriocarcinoma cell lines

Oufkir, T., Arseneault, M., Sanderson, J. T., & Vaillancourt, C. (2010) · Placenta · doi:10.1016/j.placenta.2010.02.019 · Cited by 68 · see citing works

Evidence for Functional Interactions between 5‐HT1Aand 5‐HT2AReceptors in Rat Thermoregulatory Mechanisms

Salmi, P., & Ahlénius, S. (1998) · Pharmacology & Toxicology · doi:10.1111/j.1600-0773.1998.tb01410.x · Cited by 67 · see citing works

Binding-Site Assessment by Virtual Fragment Screening

Huang, N., & Jacobson, M. P. (2010) · PLoS ONE · doi:10.1371/journal.pone.0010109 · Cited by 60 · see citing works

Ligand-Steered Modeling and Docking: A Benchmarking Study in Class A G-Protein-Coupled Receptors

Phatak, S. S., Gatica, E. A., & Cavasotto, C. N. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100285f · Cited by 60 · see citing works

High‐resolution prediction of protein helix positions and orientations

Li, X., Jacobson, M. P., & Friesner, R. A. (2004) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.20014 · Cited by 60 · see citing works

The Different Strategies for Designing GPCR and Kinase Targeted Libraries

Lowrie, J., DeLisle, R. K., Hobbs, D., & Diller, D. (2004) · Combinatorial Chemistry & High Throughput Screening · doi:10.2174/1386207043328625 · Cited by 57 · see citing works

Identifying Unexpected Therapeutic Targets via Chemical-Protein Interactome

Yang, L., Chen, J., Shi, L. M., Hudock, M. P., Wang, K., & He, L. (2010) · PLoS ONE · doi:10.1371/journal.pone.0009568 · Cited by 49 · see citing works

Computational Modeling of Structure-Function of G Protein-Coupled Receptors with Applications for Drug Design

Li, Y., Hou, T., & Goddard, W. A. (2010) · Current Medicinal Chemistry · doi:10.2174/092986710790827807 · Cited by 47 · see citing works

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Bernacki, K., Kalyanaraman, C., & Jacobson, M. P. (2005) · SLAS DISCOVERY · doi:10.1177/1087057105281220 · Cited by 41 · see citing works

Application of Ligand SAR, Receptor Modeling and Receptor Mutagenesis to the Discovery and Development of a New class of 5-HT2A Ligands

Westkaemper, R. B., & Glennon, R. A. (2002) · Current Topics in Medicinal Chemistry · doi:10.2174/1568026023393741 · Cited by 40 · see citing works

Potential Modes of Interaction of 9-Aminomethyl-9,10-dihydroanthracene (AMDA) Derivatives with the 5-HT2AReceptor: A Ligand Structure-Affinity Relationship, Receptor Mutagenesis and Receptor Modeling Investigation

Runyon, S. P., Mosier, P. D., Roth, B. L., Glennon, R. A., & Westkaemper, R. B. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm800771x · Cited by 35 · see citing works

G Protein-Coupled Receptors: Target-Based In Silico Screening

Senderowitz, H., & Marantz, Y. (2009) · Current Pharmaceutical Design · doi:10.2174/138161209789824821 · Cited by 34 · see citing works

Automated site preparation in physics‐based rescoring of receptor ligand complexes

Rapp, C. S., Schonbrun, C., Jacobson, M. P., Kalyanaraman, C., & Huang, N. (2009) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.22415 · Cited by 22 · see citing works

Non-basic ligands for aminergic GPCRs: The discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders

Ladduwahetty, T., Gilligan, M. T., Humphries, A. C., Merchant, K. J., Fish, R. L., McAlister, G., Ivarsson, M., Domínguez, M., O'Connor, D. V., & MacLeod, A. M. (2010) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2010.04.090 · Cited by 11 · see citing works

Skepinone-L, a Novel Potent and Highly Selective Inhibitor of p38 MAP Kinase, Effectively Impairs Platelet Activation and Thrombus Formation

Borst, O., Walker, B., Münzer, P., Russo, A., Schmid, E., Faggio, C., Bigalke, B., Laufer, S., Gawaz, M., & Lang, F. J. W. (2013) · Cellular Physiology and Biochemistry · doi:10.1159/000350110 · Cited by 1,867 · see citing works

Kinase inhibitors: the road ahead

Ferguson, F. M., & Gray, N. S. (2018) · Nature Reviews Drug Discovery · doi:10.1038/nrd.2018.21 · Cited by 1,009 · see citing works

Virtual Screening Strategies in Drug Discovery: A Critical Review

Lavecchia, A., & Giovanni, C. D. (2013) · Current Medicinal Chemistry · doi:10.2174/09298673113209990001 · Cited by 687 · see citing works

Unexplored therapeutic opportunities in the human genome

Oprea, T. I., Bologa, C. G., Brunak, S., Campbell, A., Gan, G. N., Gaulton, A., Gomez, S. M., Guha, R., Hersey, A., Holmes, J., et al. (2018) · Nature Reviews Drug Discovery · doi:10.1038/nrd.2018.14 · Cited by 378 · see citing works

Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1

Peng, S., Xiao, W., Ju, D., Sun, B., Hou, N., Liu, Q., Wang, Y., Zhao, H., Gao, C., Zhang, S., et al. (2019) · Science Translational Medicine · doi:10.1126/scitranslmed.aau7116 · Cited by 317 · see citing works

Erratum: Unexplored therapeutic opportunities in the human genome

Oprea, T. I., Bologa, C., Brunak, S., Campbell, A., Gan, G. N., Gaulton, A., Gomez, S. M., Guha, R., Hersey, A., Holmes, J., et al. (2018) · Nature Reviews Drug Discovery · doi:10.1038/nrd.2018.52 · Cited by 304 · see citing works

Drug repositioning by structure-based virtual screening

Ma, D., Chan, D. S., & Leung, C. (2013) · Chemical Society Reviews · doi:10.1039/c2cs35357a · Cited by 234 · see citing works

Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?

Ballante, F., Kooistra, A. J., Kampen, S., de Graaf, C., & Carlsson, J. (2021) · Pharmacological Reviews · doi:10.1124/pharmrev.120.000246 · Cited by 160 · see citing works

Hierarchical virtual screening approaches in small molecule drug discovery

Kumar, A., & Zhang, K. Y. J. (2014) · Methods · doi:10.1016/j.ymeth.2014.07.007 · Cited by 157 · see citing works

Tetrazoles as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies

Dhiman, N., Kaur, K., & Jaitak, V. (2020) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2020.115599 · Cited by 142 · see citing works

A public-private partnership to unlock the untargeted kinome

Knapp, S., Arruda, P., Blagg, J., Burley, S. K., Drewry, D. H., Edwards, A. M., Fabbro, D., Gillespie, P., Gray, N. S., Küster, B., et al. (2012) · Nature Chemical Biology · doi:10.1038/nchembio.1113 · Cited by 141 · see citing works

Benserazide, a dopadecarboxylase inhibitor, suppresses tumor growth by targeting hexokinase 2

Li, W., Zheng, M., Wu, S., Gao, S., Yang, M., Li, Z., Min, Q., Sun, W., Chen, L., Xiang, G., et al. (2017) · Journal of Experimental & Clinical Cancer Research · doi:10.1186/s13046-017-0530-4 · Cited by 141 · see citing works

On the origins of drug polypharmacology

Jalencas, X., & Mestres, J. (2012) · MedChemComm · doi:10.1039/c2md20242e · Cited by 139 · see citing works

The bitter pill: clinical drugs that activate the human bitter taste receptor TAS2R14

Levit, A., Nowak, S., Peters, M., Dagan‐Wiener, A., Meyerhof, W., Behrens, M., & Niv, M. Y. (2013) · The FASEB Journal · doi:10.1096/fj.13-242594 · Cited by 129 · see citing works

Structural Analysis of Chemokine Receptor–Ligand Interactions

Arimont, M., Sun, S., Leurs, R., Smit, M. J., de Esch, I. J. P., & de Graaf, C. (2017) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.6b01309 · Cited by 125 · see citing works

Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description

Spyrakis, F., & Cavasotto, C. N. (2015) · Archives of Biochemistry and Biophysics · doi:10.1016/j.abb.2015.08.002 · Cited by 122 · see citing works

Nonantimicrobial Actions of Macrolides: Overview and Perspectives for Future Development

Kricker, J. A., Page, C. P., Gardarsson, F. R., Baldursson, Ó., Guðjónsson, Þ., & Parnham, M. J. (2021) · Pharmacological Reviews · doi:10.1124/pharmrev.121.000300 · Cited by 92 · see citing works

Integrated Approaches for Genome-wide Interrogation of the Druggable Non-olfactory G Protein-coupled Receptor Superfamily

Roth, B. L., & Kroeze, W. K. (2015) · Journal of Biological Chemistry · doi:10.1074/jbc.r115.654764 · Cited by 88 · see citing works

Benserazide is a novel inhibitor targeting PKM2 for melanoma treatment

Zhou, Y., Huang, Z., Su, J., Li, J., Zhao, S., Wu, L., Jiangling, Z., He, Y., Zhang, G., Tao, J., et al. (2019) · International Journal of Cancer · doi:10.1002/ijc.32756 · Cited by 88 · see citing works

A structural chemogenomics analysis of aminergic GPCRs : lessons for histamine receptor ligand design

Kooistra, A. J., Kuhne, S., de Esch, I. J. P., Leurs, R., & de Graaf, C. (2013) · British Journal of Pharmacology · doi:10.1111/bph.12248 · Cited by 85 · see citing works

Chemical Diversity in the G Protein-Coupled Receptor Superfamily

Vass, M., Kooistra, A. J., Yang, D., Stevens, R. C., Wang, M.-W., & de Graaf, C. (2018) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2018.02.004 · Cited by 81 · see citing works

Integration of target discovery, drug discovery and drug delivery: A review on computational strategies

Duarte, Y., Márquez‐Miranda, V., Miossec, M. J., & González-Nilo, F. D. (2019) · Wiley Interdisciplinary Reviews Nanomedicine and Nanobiotechnology · doi:10.1002/wnan.1554 · Cited by 75 · see citing works

High-content phenotypic and pathway profiling to advance drug discovery in diseases of unmet need

Hughes, R. E., Elliott, R. J. R., Dawson, J. C., & Carragher, N. O. (2021) · Cell Chemical Biology · doi:10.1016/j.chembiol.2021.02.015 · Cited by 62 · see citing works

Sorafenib Inhibits Ribonucleotide Reductase Regulatory Subunit M2 (RRM2) in Hepatocellular Carcinoma Cells

Yang, P., Lin, L.-S., & Liu, T. (2020) · Biomolecules · doi:10.3390/biom10010117 · Cited by 62 · see citing works

A New Target for an Old Drug: Identifying Mitoxantrone as a Nanomolar Inhibitor of PIM1 Kinase via Kinome-Wide Selectivity Modeling

Wan, X., Zhang, W., Li, L., Xie, Y., Li, W., & Huang, N. (2013) · Journal of Medicinal Chemistry · doi:10.1021/jm400045y · Cited by 56 · see citing works

Quantification of Frequent-Hitter Behavior Based on Historical High-Throughput Screening Data

Nissink, J. W. M., & Blackburn, S. (2014) · Future Medicinal Chemistry · doi:10.4155/fmc.14.72 · Cited by 56 · see citing works

Identification of Similar Binding Sites to Detect Distant Polypharmacology

Jalencas, X., & Mestres, J. (2013) · Molecular Informatics · doi:10.1002/minf.201300082 · Cited by 55 · see citing works

Design, synthesis, biological evaluation and dynamics simulation of indazole derivatives with antiangiogenic and antiproliferative anticancer activity

Elsayed, N. M. Y., Serya, R. A. T., Tolba, M. F., Ahmed, M., Barakat, K., Ella, D. A. A. E., & Abouzid, K. A. M. (2018) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2018.10.071 · Cited by 53 · see citing works

Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome

Zhou, Y., Ma, J., Lin, X., Huang, X., Wu, K., & Huang, N. (2015) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5b01631 · Cited by 42 · see citing works

Synthesis of (+)-Lysergol and Its Analogues To Assess Serotonin Receptor Activity

Yuan, H., Guo, Z., & Luo, T. (2017) · Organic Letters · doi:10.1021/acs.orglett.6b03779 · Cited by 42 · see citing works

Detecting similar binding pockets to enable systems polypharmacology

Duran‐Frigola, M., Siragusa, L., Ruppin, E., Barril, X., Cruciani, G., & Aloy, P. (2017) · PLoS Computational Biology · doi:10.1371/journal.pcbi.1005522 · Cited by 40 · see citing works

Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay

Li, Y., Guo, B., Xu, Z., Li, B., Cai, T., Zhang, X., Yu, Y., Wang, H., Shi, J., & Zhu, W. (2016) · Scientific Reports · doi:10.1038/srep31074 · Cited by 39 · see citing works

Troubleshooting and deconvoluting label-free cell phenotypic assays in drug discovery

Ye, F. (2013) · Journal of Pharmacological and Toxicological Methods · doi:10.1016/j.vascn.2013.01.004 · Cited by 38 · see citing works

From Three-Dimensional GPCR Structure to Rational Ligand Discovery

Kooistra, A. J., Leurs, R., de Esch, I. J. P., & de Graaf, C. (2013) · Advances in experimental medicine and biology · doi:10.1007/978-94-007-7423-0_7 · Cited by 31 · see citing works

Replicated, replicable and relevant–target engagement and pharmacological experimentation in the 21st century

Kenakin, T., Bylund, D. B., Toews, M. L., Mullane, K., Winquist, R. J., & Williams, M. J. (2013) · Biochemical Pharmacology · doi:10.1016/j.bcp.2013.10.024 · Cited by 28 · see citing works

Challenges in the Design of Multitarget Drugs Against Multifactorial Pathologies: A New Life for Medicinal Chemistry?

Costantino, L., & Barlocco, D. (2012) · Future Medicinal Chemistry · doi:10.4155/fmc.12.193 · Cited by 27 · see citing works

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

McGuire, R., Verhoeven, S., Vass, M., Vriend, G., de Esch, I. J. P., Lusher, S. J., Leurs, R., Ridder, L., Kooistra, A. J., Ritschel, T., et al. (2017) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.6b00686 · Cited by 26 · see citing works

Exploring the antiplatelet activity of serotonin 5-HT2A receptor antagonists bearing 6-fluorobenzo[d]isoxazol-3-yl)propyl) motif– as potential therapeutic agents in the prevention of cardiovascular diseases

Marcinkowska, M., Kubacka, M., Zagórska, A., Jaromin, A., Fajkis-Zajączkowska, N., & Kołaczkowski, M. (2021) · Biomedicine & Pharmacotherapy · doi:10.1016/j.biopha.2021.112424 · Cited by 25 · see citing works

Homology Modeling of Human Muscarinic Acetylcholine Receptors

Thomas, T., McLean, K. C., McRobb, F. M., Manallack, D. T., Chalmers, D. K., & Yuriev, E. (2013) · Journal of Chemical Information and Modeling · doi:10.1021/ci400502u · Cited by 21 · see citing works

Predicting Molecular Targets for Small‐Molecule Drugs with a Ligand‐Based Interaction Fingerprint Approach

Cao, R., & Wang, Y. (2015) · ChemMedChem · doi:10.1002/cmdc.201500228 · Cited by 21 · see citing works

Identification of PDE6D as a potential target of sorafenib via PROTAC technologyPreprint

Li, Y., Meng, Q., Wang, P., Liu, X., Fu, Q., Xie, Y., Zhou, Y., Qi, X., & Huang, N. (2020) · bioRxiv (Cold Spring Harbor Laboratory) · doi:10.1101/2020.05.06.079947 · Cited by 20 · see citing works

3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery

Kooistra, A. J., Vass, M., McGuire, R., Leurs, R., de Esch, I. J. P., Vriend, G., Verhoeven, S., & de Graaf, C. (2018) · ChemMedChem · doi:10.1002/cmdc.201700754 · Cited by 18 · see citing works

More than just a GPCR ligand: structure-based discovery of thioridazine derivatives as Pim-1 kinase inhibitors

Li, W., Wan, X., Zeng, F., Xie, Y., Wang, Y., Zhang, W., Li, L., & Huang, N. (2014) · MedChemComm · doi:10.1039/c4md00030g · Cited by 16 · see citing works

The Resistance Tetrad

Bailey, F. P., Andreev, V. I., & Eyers, P. A. (2014) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/b978-0-12-397918-6.00005-7 · Cited by 16 · see citing works

The Multistage Antimalarial Compound Calxinin Perturbates P. falciparum Ca2+ Homeostasis by Targeting a Unique Ion Channel

Gupta, Y. A., Sharma, N., Singh, S., Romero, J. G., Rajendran, V., Mogire, R. M., Kashif, M., Beach, J. R., Jeske, W. P., Poonam, P., et al. (2022) · Pharmaceutics · doi:10.3390/pharmaceutics14071371 · Cited by 14 · see citing works

Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules

Cao, R., Wang, Y., & Huang, N. (2015) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5b00540 · Cited by 13 · see citing works

Exploring Novel Antidepressants Targeting G Protein-Coupled Receptors and Key Membrane Receptors Based on Molecular Structures

Yao, H., Wang, X., Chi, J., Chen, H., Liu, Y., Jiayi, Y., Yu, J., Ruan, Y., Xiang, X., Pi, J., et al. (2024) · Molecules · doi:10.3390/molecules29050964 · Cited by 11 · see citing works

The derivatives of imidazo[1,2-a]benzimidazole as 5-HT2A receptor antagonists

Спасов, А. А., Yakovlev, D. S., Maltsev, D. V., Zhukovskaya, O. N., Анисимова, В. А., Kovalev, G. I., Зимин, И. А., & Морковина, Я. В. (2016) · Russian Journal of Bioorganic Chemistry · doi:10.1134/s1068162016040178 · Cited by 10 · see citing works

Overview of Drug Polypharmacology and Multitargeted Molecular Design

Chaudhari, R., Tan, Z., & Zhang, S. (2017) · Elsevier eBooks · doi:10.1016/b978-0-12-409547-2.12323-6 · Cited by 10 · see citing works

Reagent Validation to Facilitate Experimental Reproducibility

Williams, M. J. (2018) · Current Protocols in Pharmacology · doi:10.1002/cpph.40 · Cited by 10 · see citing works

Computational Modeling of Multi-target-Directed Inhibitors Against Alzheimer’s Disease

Kumar, A., & Sharma, A. K. (2017) · Neuromethods · doi:10.1007/978-1-4939-7404-7_19 · Cited by 10 · see citing works

Catecholamine Receptors

Emery, A. C. (2013) · Advances in pharmacology · doi:10.1016/b978-0-12-411512-5.00016-6 · Cited by 8 · see citing works

Synthesis and Antitumor Activity of Sorafenib Analogs Containing a Tetrazole Moiety

Tian, Y., Yu, S., Cai, L., Gong, G., Wu, G., Qi, H., Zhao, Y., & Qin, M. (2018) · Chemical Research in Chinese Universities · doi:10.1007/s40242-018-8236-5 · Cited by 5 · see citing works

A computer-based approach for developing linamarase inhibitory agents

Paul, L., Mudogo, C. N., Mtei, K., Machunda, R. L., & Ntie‐Kang, F. (2020) · Physical Sciences Reviews · doi:10.1515/psr-2019-0098 · Cited by 5 · see citing works

Molecular determinants of antagonist interactions with chemokine receptors CCR2 and CCR5Preprint

Dawson, J. R. D., Wadman, G. M., Zhang, P., Tebben, A. J., Carter, P. H., Gu, S., Shroka, T. M., Roman, L. B., Salanga, C. L., Handel, T. M., et al. (2023) · bioRxiv (Cold Spring Harbor Laboratory) · doi:10.1101/2023.11.15.567150 · Cited by 5 · see citing works

Low Basicity as a Characteristic for Atypical Ligands of Serotonin Receptor 5-HT2

Podlewska, S., Bugno, R., Lacivita, E., Leopoldo, M., Bojarski, A. J., & Handzlik, J. (2021) · International Journal of Molecular Sciences · doi:10.3390/ijms22031035 · Cited by 4 · see citing works

Literature Search and Review

Auld, D., Simeonov, A. M., Lea, W., & Thomas, C. J. (2010) · Assay and Drug Development Technologies · doi:10.1089/adt.2010.0805.lr · Cited by 4 · see citing works

Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors

Wang, Q., Fu, X., Yan, Y., Liu, T., Xie, Y., Song, X., Zhou, Y., Min, X., Wang, P., Fu, P., et al. (2024) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.3c01282 · Cited by 3 · see citing works

Novel Approaches to the Development of Antimigraine Drugs: A Focus on 5-HT2A Receptor Antagonists

Спасов, А. А., Yakovlev, D. S., Brigadirova, A. A., Maltsev, D. V., & Agatsarskaya, Y. V. (2019) · Russian Journal of Bioorganic Chemistry · doi:10.1134/s1068162019020146 · Cited by 3 · see citing works

[Computational chemistry in structure-based drug design].

Cao, R., Li, W., Sun, H., Zhou, Y., & Huang, N. (2013) · PubMed · Cited by 3 · see citing works

Experimental Planning and Execution

Mullane, K., Curtis, M. J., & Williams, M. J. (2017) · Elsevier eBooks · doi:10.1016/b978-0-12-804725-5.00002-1 · Cited by 3 · see citing works

Designing Approaches to Multitarget Drugs

Costantino, L., & Barlocco, D. (2017) · Methods and principles in medicinal chemistry · doi:10.1002/9783527674381.ch7 · Cited by 3 · see citing works

Aldehyde Dehydrogenase 2 (ALDH2): A novel sorafenib target in hepatocellular carcinoma unraveled by the proteome-wide cellular thermal shift assay

Ferreira, I. C., Torrejón, E., Abecasis, B., Alexandre, B. M., Gomes, R. A., Verslype, C., van Pelt, J. F., Barbas, A., Simão, D. F., Bandeiras, T. M., et al. (2024) · SLAS DISCOVERY · doi:10.1016/j.slasd.2024.100154 · Cited by 2 · see citing works

A unique ligand‐steered strategy for CC chemokine receptor 2 homology modeling to facilitate structure‐based virtual screening

Jin, H., Xia, J., Liu, Z., Wang, X. S., & Zhang, L. (2021) · Chemical Biology & Drug Design · doi:10.1111/cbdd.13820 · Cited by 2 · see citing works

In Silico and Biophysical Techniques in Anticancer Drug Discovery Research

Ghazi, A., & Yap, B. K. (2024) · Interdisciplinary cancer research · doi:10.1007/16833_2024_235 · Cited by 1 · see citing works

Scrutinization on Docking against Individually Generated Target Pockets for each Ligand

Zhan, R., Zhang, W., & Huang, J. (2026) · Journal of Pharmaceutical Analysis · doi:10.1016/j.jpha.2026.101759 · Cited by 1 · see citing works

Homology Modeling and Docking Evaluation of Human Muscarinic Acetylcholine Receptors

Thomas, T., Chalmers, D. K., & Yuriev, E. (2015) · Neuromethods · doi:10.1007/978-1-4939-2858-3_2 · Cited by 1 · see citing works

Pharmaceutical interest of in-silico approaches

Kumar, D., Sharma, P., Mahajan, A., Dhawan, R. K., & Dua, K. (2022) · Physical Sciences Reviews · doi:10.1515/psr-2018-0157 · Cited by 1 · see citing works

Literature Search and Review

Auld, D., Lea, W., Davis, M. I., & Simeonov, A. M. (2012) · Assay and Drug Development Technologies · doi:10.1089/adt.2012.1004.lr · Cited by 1 · see citing works

Challenges in the design of multitarget drugs against multifactorial pathologies: a new life for medicinal chemistry? "While there is a research of modern phenotypic assays, network pharmacology deals with the second problem, namely the proper selection of the targets."

Costantino, L. (2013)

The Multistage Antimalarial Compound Calxinin Modulates Calcium Homeostasis Targeting a Unique Calcium Channel Involved in Subcellular Calcium Storage in P. falciparumPreprint

Gupta, Y. A., Sharma, N., Singh, S., Romero, J. G., Rajendran, V., Mogire, R. M., Mathur, R., Kashif, M., Beach, J. R., Jeske, W. P., et al. (2022) · SSRN Electronic Journal · doi:10.2139/ssrn.4002022

Drugs that act on both G protein‐coupled receptors (GPCRs) and kinases: potentiation of effects, side effects and general aspects of drug pleiotropy

Ljunggren, H., Sokolov, A., Ballante, F., Fredriksson, R., Lagunas‐Rangel, F. A., Hauser, A. S., Knapp, S., Jönsson, J., & Schiöth, H. B. (2026) · British Journal of Pharmacology · doi:10.1111/bph.70481

Drug repurposing for pancreatic cancer: Lomitapide Mesylate as a potent HK2 inhibitor discovered via virtual screening

Tan, X., Zhang, Y., Liu, M., Wang, F., Huang, B., Wang, D., Wang, Y., Gao, J., Si, Z., Yang, X., et al. (2026) · Cellular Signalling · doi:10.1016/j.cellsig.2026.112634

BindingDB Entry 50042554: A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.

BindingDB (2013) · UC San Diego · doi:10.7270/q2125tz0

BindingDB Entry 50047107: Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome.

BindingDB (2017) · UC San Diego · doi:10.7270/q2d50pt3

BindingDB Entry 50011033: Tetrazoles as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies.

BindingDB (2021) · UC San Diego · doi:10.7270/q2j969xs

BindingDB Entry 50019094: Structural Analysis of Chemokine Receptor-Ligand Interactions.

BindingDB (2024) · UC San Diego · doi:10.7270/q27m0d56

Discovery and in vitro Evaluation of Novel Serotonin 5‐HT2A Receptor Ligands Identified Through Virtual Screening

Zięba, A., Bartuzi, D., Stępnicki, P., Matosiuk, D., Wróbel, T. M., Laitinen, T., Castro, M., & Kaczor, A. A. (2024) · ChemMedChem · doi:10.1002/cmdc.202400080 · Cited by 3 · see citing works

Discovery of a Novel 5-HT_(2A) Inhibitor by Pharmacophore-based Virtual Screening

Zhen, X. (2011) · Chemical Research in Chinese Universities · Cited by 2 · see citing works

Molecular Modeling of the 3D Structure of 5-HT 1A R: Discovery of Novel 5-HT 1A R Agonists via Dynamic Pharmacophore-Based Virtual Screening

Xu, L., Zhou, S., Yu, K., Gao, B., Jiang, H., Zhen, X., & Fu, W. (2013) · Journal of Chemical Information and Modeling · doi:10.1021/ci400481p · Cited by 32 · see citing works

Application of Ligand SAR, Receptor Modeling and Receptor Mutagenesis to the Discovery and Development of a New class of 5-HT2A Ligands

Westkaemper, R. B., & Glennon, R. A. (2002) · Current Topics in Medicinal Chemistry · doi:10.2174/1568026023393741 · Cited by 40 · see citing works

Insights of ligand binding in modeled h5-HT1A receptor: homology modeling, docking, MM-GBSA, screening and molecular dynamics

Jha, P., Chaturvedi, S., Bhat, R., Jain, N., & Mishra, A. K. (2021) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2021.1961865 · Cited by 6 · see citing works