Cooperativity in Noncovalent Interactions

Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations

Bren, U., & Oostenbrink, C. (2012) · Journal of Chemical Information and Modeling · doi:10.1021/ci300118x · Cited by 88

Towards a consistent modeling of protein thermodynamic and kinetic cooperativity: how applicable is the transition state picture to folding and unfolding? 1 1Edited by C. R. Matthews

Kaya, H., & Chan, H. S. (2002) · Journal of Molecular Biology · doi:10.1006/jmbi.2001.5266 · Cited by 88

Deciphering the Sox-Oct partner code by quantitative cooperativity measurements

Ng, C. K. L., Li, N. X., Chee, S., Prabhakar, S., Kolatkar, P. R., & Jauch, R. (2012) · Nucleic Acids Research · doi:10.1093/nar/gks153 · Cited by 88

Popular Kohn-Sham density functionals strongly overestimate many-body interactions in van der Waals systems

Tkatchenko, A., & von Lilienfeld, O. A. (2008) · Physical Review B · doi:10.1103/physrevb.78.045116 · Cited by 86

Very Long‐Range Effects: Cooperativity between Anion–π and Hydrogen‐Bonding Interactions

Lucas, X., Estarellas, C., Escudero, D., Frontera, A., Quiñonero, D., & Deyà, P. M. (2009) · ChemPhysChem · doi:10.1002/cphc.200900157 · Cited by 86

Delineation of the allosteric mechanism of a cytidylyltransferase exhibiting negative cooperativity.

Stevens, S. Y., Sanker, S., Kent, C., & Zuiderweg, E. R. P. (2001) · Nature Structural Biology · doi:10.1038/nsb1101-947 · Cited by 85

Intramolecular Interactions of a Phenyl/Perfluorophenyl Pair in the Formation of Supramolecular Nanofibers and Hydrogels

Hsu, S., Lin, Y., Chang, J., Liu, Y., & Lin, H. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201307500 · Cited by 85

Cooperativity, Smooth Energy Landscapes and the Origins of Topology-dependent Protein Folding Rates

Jewett, A. I., Pande, V. S., & Plaxco, K. W. (2003) · Journal of Molecular Biology · doi:10.1016/s0022-2836(02)01356-6 · Cited by 83

Site-Specific Thermodynamics: Understanding Cooperativity in Molecular Recognition

Di, E. (1998) · Chemical Reviews · doi:10.1021/cr960135g · Cited by 83

Anti‐cooperativity and cooperativity in hydrophobic interactions: Three‐body free energy landscapes and comparison with implicit‐solvent potential functions for proteins

Shimizu, S., & Chan, H. S. (2002) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.10108 · Cited by 83

Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Study

Lu, Y., Liu, Y., Li, H., Zhu, X., Liu, H., & Zhu, W. (2012) · The Journal of Physical Chemistry A · doi:10.1021/jp212522k · Cited by 83

Mechanism of Cooperative Oxygen Binding to Hemoglobin

Ogata, R. T., & McConnell, H. M. (1972) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.69.2.335 · Cited by 82

Benzene trimer and benzene tetramer: Structures and properties determined by the nonempirical model (NEMO) potential calibrated from the CCSD(T) benzene dimer energies

Engkvist, O., Hobza, P., Selzle, H. L., & Schlag, E. W. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478474 · Cited by 80

Cooperative Hydrogen Bonding Effects Are Key Determinants of Backbone Amide Proton Chemical Shifts in Proteins

Parker, L. L., Houk, A. R., & Jensen, J. H. (2006) · Journal of the American Chemical Society · doi:10.1021/ja0617901 · Cited by 79

Theory for Protein Folding Cooperativity: Helix Bundles

Ghosh, K., & Dill, K. A. (2009) · Journal of the American Chemical Society · doi:10.1021/ja808136x · Cited by 78

Water Makes the Difference: Rearrangement of Water Solvation Layer Triggers Non‐additivity of Functional Group Contributions in Protein–Ligand Binding

Biela, A., Betz, M., Heine, A., & Klebe, G. (2012) · ChemMedChem · doi:10.1002/cmdc.201200206 · Cited by 76

Proximity and Cooperativity Effects in Binuclear d0 Olefin Polymerization Catalysis. Theoretical Analysis of Structure and Reaction Mechanism

Motta, A., Fragalà, I. L., & Marks, T. J. (2009) · Journal of the American Chemical Society · doi:10.1021/ja8077208 · Cited by 76

Stair Motifs at Protein−DNA Interfaces: Nonadditivity of H-Bond, Stacking, and Cation−π Interactions

Biot, C., Wintjens, R. T., & Rooman, M. J. (2004) · Journal of the American Chemical Society · doi:10.1021/ja049620g · Cited by 76

Structural and Electric Field Effects of Ions in Aqueous Nanodrops

Prell, J. S., O’Brien, J. T., & Williams, E. R. (2011) · Journal of the American Chemical Society · doi:10.1021/ja108341t · Cited by 76

Uncovering the Self-Assembly of DNA Nanostructures by Thermodynamics and Kinetics

Wei, X., Nangreave, J., & Liu, Y. (2014) · Accounts of Chemical Research · doi:10.1021/ar5000665 · Cited by 76

Chemical basis of glycine riboswitch cooperativity

Kwon, M., & Strobel, S. A. (2007) · RNA · doi:10.1261/rna.771608 · Cited by 75

Can QTAIM Topological Parameters Be a Measure of Hydrogen Bonding Strength?

Mo, Y. (2012) · The Journal of Physical Chemistry A · doi:10.1021/jp3029769 · Cited by 74

Supramolecular Polymerization of Benzene-1,3,5-tricarboxamide: A Molecular Dynamics Simulation Study

Bejagam, K. K., Fiorin, G., Klein, M. L., & Balasubramanian, S. (2014) · The Journal of Physical Chemistry B · doi:10.1021/jp502779z · Cited by 73

Folding with downhill behavior and low cooperativity of proteins

Zuo, G., Wang, J., & Wang, W. (2006) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.20857 · Cited by 72

Interplay between halogen bonds and π–π stacking interactions: CSD search and theoretical study

Li, H., Lu, Y., Liu, Y., Zhu, X., Liu, H., & Zhu, W. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp41149k · Cited by 71

Supramolecular Assembly of Isocyanorhodium(I) Complexes: An Interplay of Rhodium(I)···Rhodium(I) Interactions, Hydrophobic–Hydrophobic Interactions, and Host–Guest Chemistry

Chan, A. K., Wong, K. M., & Yam, V. W. (2015) · Journal of the American Chemical Society · doi:10.1021/jacs.5b03396 · Cited by 71

Lattice model of equilibrium polymerization. VII. Understanding the role of “cooperativity” in self-assembly

Douglas, J. F., Dudowicz, J., & Freed, K. F. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2909195 · Cited by 69

Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Yurenko, Y. P., Novotný, J., Sklenář, V., & Marek, R. (2013) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp53875c · Cited by 69

Cooperative Supramolecular Polymerization: Comparison of Different Models Applied on the Self‐Assembly of Bis(merocyanine) Dyes

Fernández, G., Stolte, M., Stepanenko, V., et al. (2012) · Chemistry - A European Journal · doi:10.1002/chem.201202679 · Cited by 68

The influence of π-conjugated moieties on the thermodynamics of cooperatively self-assembling tricarboxamides

García, F., Korevaar, P. A., Verlee, A., Meijer, E. W., Palmans, A. R. A., & Sánchez, L. (2013) · Chemical Communications · doi:10.1039/c3cc43845g · Cited by 67

Cooperativity in the self-assembly of porphyrin ladders

Camara-Campos, A., Hunter, C. A., & Tomàs, S. (2006) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0508071103 · Cited by 67

Functional residues serve a dominant role in mediating the cooperativity of the protein ensemble

Liu, T., Whitten, S. T., & Hilser, V. J. (2007) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0607132104 · Cited by 66

Direct Measurement of Tertiary Contact Cooperativity in RNA Folding

Sattin, B. D., Zhao, W., Travers, K. J., Chu, S., & Herschlag, D. (2008) · Journal of the American Chemical Society · doi:10.1021/ja800919q · Cited by 66

Hydrogen Bonding in Water Clusters and Their Ionized Counterparts

Neela, Y. I., Mahadevi, A. S., & Sastry, G. N. (2010) · The Journal of Physical Chemistry B · doi:10.1021/jp108634z · Cited by 66

Comparison of Computational Methods to Model DNA Minor Groove Binders

Srivastava, H. K., Chourasia, M., Kumar, D., & Sastry, G. N. (2011) · Journal of Chemical Information and Modeling · doi:10.1021/ci100474n · Cited by 65

Effect of Finite Size on Cooperativity and Rates of Protein Folding

Kouza, M., Li, M. S., O’Brien, E. P., Hu, C., & Thirumalai, D. (2005) · The Journal of Physical Chemistry A · doi:10.1021/jp053770b · Cited by 65

Thermodynamic and kinetic analysis of sensitivity amplification in biological signal transduction

Qian, H. (2003) · Biophysical Chemistry · doi:10.1016/s0301-4622(03)00068-1 · Cited by 65

MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions

Quiñonero, D., Frontera, A., Escudero, D., Ballester, P., Costa, A., & Deyà, P. M. (2008) · Theoretical Chemistry Accounts · doi:10.1007/s00214-008-0416-9 · Cited by 65

Polycation-π Interactions Are a Driving Force for Molecular Recognition by an Intrinsically Disordered Oncoprotein Family

Song, J., Ng, S. C., Tompa, P., Lee, K. A. W., & Chan, H. S. (2013) · PLoS Computational Biology · doi:10.1371/journal.pcbi.1003239 · Cited by 64

Binding Affinities and Thermodynamics of Noncovalent Functionalization of Carbon Nanotubes with Surfactants

Oh, H., Sim, J., & Ju, S. (2013) · Langmuir · doi:10.1021/la4022933 · Cited by 64

Cooperativity of folding of the apomyoglobin pH 4 intermediate studied by glycine and proline mutations

Luo, Y., Kay, M. S., & Baldwin, R. L. (1997) · Nature Structural & Molecular Biology · doi:10.1038/nsb1197-925 · Cited by 62

Intra- and Intersubunit Cooperativity in Activation of BK Channels by Ca2+

Qian, X., Niu, X., & Magleby, K. L. (2006) · The Journal of General Physiology · doi:10.1085/jgp.200609486 · Cited by 62

Mechanistic Studies of Gold and Palladium Cooperative Dual-Catalytic Cross-Coupling Systems

Al‐Amin, M., Roth, K. E., & Blum, S. A. (2013) · ACS Catalysis · doi:10.1021/cs400641k · Cited by 61

Cooperative deformation of hydrogen bonds in beta-strands and beta-sheet nanocrystals

Qin, Z., & Buehler, M. J. (2010) · Physical Review E · doi:10.1103/physreve.82.061906 · Cited by 60

Viability of Clathrate Hydrates as CO2 Capturing Agents: A Theoretical Study

Srivastava, H. K., & Sastry, G. N. (2011) · The Journal of Physical Chemistry A · doi:10.1021/jp203599g · Cited by 60

The Importance of Hydrogen Bonding between the Glutamine Side Chains to the Formation of Amyloid VQIVYK Parallel β-Sheets: An ONIOM DFT/AM1 Study

Plumley, J. A., & Dannenberg, J. J. (2010) · Journal of the American Chemical Society · doi:10.1021/ja909690a · Cited by 58

Cooperative and Directional Folding of the preQ1 Riboswitch Aptamer Domain

Feng, J., Walter, N. G., & Brooks, C. L. (2011) · Journal of the American Chemical Society · doi:10.1021/ja110411m · Cited by 58

Experimental and computational study of the interplay between C–H/π and anion–π interactions

Quiñonero, D., Deyà, P. M., Carranza, M. P., Rodrı́guez, A. M., Jalón, F. A., & Manzano, B. R. (2009) · Dalton Transactions · doi:10.1039/b915794h · Cited by 57

Cooperative Self-Assembly of Oligo(m-phenyleneethynylenes) into Supramolecular Coordination Polymers

Wackerly, J. W., & Moore, J. S. (2006) · Macromolecules · doi:10.1021/ma061331k · Cited by 57

Cooperative folding of intrinsically disordered domains drives assembly of a strong elongated protein

Gruszka, D. T., Whelan, F., Farrance, O. E., Fung, H. K. H., Paci, E., Jeffries, C. M., Svergun, D. I., Baldock, C., Baumann, C. G., Brockwell, D. J., et al. (2015) · Nature Communications · doi:10.1038/ncomms8271 · Cited by 57

Analysis of 'downhill' protein folding

Ferguson, N. S., Sharpe, T., Johnson, C. M., Schartau, P. J., & Fersht, A. R. (2007) · Nature · doi:10.1038/nature05643 · Cited by 52

Novel Targets for Antiinflammatory and Antiarthritic Agents

Kulkarni, R., Achaiah, G., & Sastry, G. N. (2006) · Current Pharmaceutical Design · doi:10.2174/138161206777698945 · Cited by 52

Cooperative Binding of p53 to DNA: Regulation by Protein–Protein Interactions through a Double Salt Bridge

Dehner, A., Klein, C., Hansen, S., Müller, L., Büchner, J., Schwaiger, M., & Kessler, H. (2005) · Angewandte Chemie International Edition · doi:10.1002/anie.200501887 · Cited by 52

Thermodynamic and Kinetic Analysis of Sensitivity Amplification in Biological Signal TransductionPreprint

Qian, H. (2002) · Cited by 52

Cooperativity and anticooperativity in solvation by water: imidazoles, quinones, nitrophenols, nitrophenolate, and nitrothiophenolate ions

Wolfenden, R. V., Liang, Y.-L., Matthews, M., & Williams, R. (1987) · Journal of the American Chemical Society · doi:10.1021/ja00236a026 · Cited by 51

Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase

Choudhury, C., Priyakumar, U. D., & Sastry, G. N. (2015) · Journal of Chemical Information and Modeling · doi:10.1021/ci500737b · Cited by 51

Consistent Helicities from CD and Template t/c Data for N-Templated Polyalanines: Progress toward Resolution of the Alanine Helicity Problem

Kennedy, R. J., Tsang, K.-Y., & Kemp, D. S. (2002) · Journal of the American Chemical Society · doi:10.1021/ja016285c · Cited by 51

Hydrogen‐Bonding Cooperativity: Using an Intramolecular Hydrogen Bond To Design a Carbohydrate Derivative with a Cooperative Hydrogen‐Bond Donor Centre

Vicente, V., Martin, J. N., Jiménez‐Barbero, J., Chiara, J. L., & Vicent, C. (2004) · Chemistry - A European Journal · doi:10.1002/chem.200400042 · Cited by 50

Cooperative effects in hydrogen‐bonding of protein secondary structure elements: A systematic analysis of crystal data using Secbase

Koch, O., Bocola, M., & Klebe, G. (2005) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.20613 · Cited by 50

Self-Assembled Multi-Component Catenanes: The Effect of Multivalency and Cooperativity on Structure and Stability

Chung, M.-K., Lee, S. J., Waters, M. L., & Gagné, M. R. (2012) · Journal of the American Chemical Society · doi:10.1021/ja302347q · Cited by 50

Configurational Entropy and Cooperativity between Ligand Binding and Dimerization in Glycopeptide Antibiotics

Jusuf, S., Loll, P. J., & Axelsen, P. H. (2003) · Journal of the American Chemical Society · doi:10.1021/ja027780r · Cited by 50

Cooperativity in noncovalent interactions of biologically relevant molecules

Antony, J., Brüske, B., & Grimme, S. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907260h · Cited by 50

Consequences of Cooperativity in Racemizing Supramolecular Systems

Cantekin, S., ten Eikelder, H. M. M., Markvoort, A. J., Veld, M. A. J., Korevaar, P. A., Green, M. M., Palmans, A. R. A., & Meijer, E. W. (2012) · Angewandte Chemie International Edition · doi:10.1002/anie.201201701 · Cited by 49

Effects of the biological backbone on stacking interactions at DNA–protein interfaces: the interplay between the backbone⋯π and π⋯π components

Churchill, C. D. M., Rutledge, L. R., & Wetmore, S. D. (2010) · Physical Chemistry Chemical Physics · doi:10.1039/c0cp00550a · Cited by 49

Direct analysis of cooperativity in multisubunit allosteric proteins

Zandany, N., Ovadia, M., Orr, I., & Yifrach, O. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0804104105 · Cited by 49

Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

Sengupta, D., & Kundu, S. (2012) · BMC Bioinformatics · doi:10.1186/1471-2105-13-142 · Cited by 49

Cooperativity in the stacking of benzene-1,3,5-tricarboxamide: The role of dispersion

Kulkarni, C. H., Reddy, S. K., George, S. J., & Balasubramanian, S. (2011) · Chemical Physics Letters · doi:10.1016/j.cplett.2011.09.028 · Cited by 48

Mutual Influence between Halogen Bonds and Cation–π Interactions: A Theoretical Study

Lu, Y., Liu, Y., Li, H., Zhu, X., Liu, H., & Zhu, W. (2012) · ChemPhysChem · doi:10.1002/cphc.201200035 · Cited by 47

Cooperativity in Aqueous Organometallic Catalysis: Contribution of Cyclodextrin-Substituted Polymers

Potier, J., Menuel, S., Fournier, D., Fourmentin, S., Woisel, P., Monflier, É., & Hapiot, F. (2012) · ACS Catalysis · doi:10.1021/cs300254t · Cited by 47

The significance of the alkene size and the nature of the metal ion in metal–alkene complexes: a theoretical study

Premkumar, J. R., Vijay, D., & Sastry, G. N. (2012) · Dalton Transactions · doi:10.1039/c2dt30119a · Cited by 45

Folding Cooperativity in RNA and DNA Is Dependent on Position in the Helix

Siegfried, N. A., Metzger, S. L., & Bevilacqua, P. C. (2007) · Biochemistry · doi:10.1021/bi061375l · Cited by 45

Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids

Umadevi, D., & Sastry, G. N. (2013) · ChemPhysChem · doi:10.1002/cphc.201300089 · Cited by 45

Hydrogen Bond Cooperativity in Water Hexamers: Atomic Energy Perspective of Local Stabilities

Albrecht, L., Chowdhury, S., & Boyd, R. J. (2013) · The Journal of Physical Chemistry A · doi:10.1021/jp407371c · Cited by 45

Tyrosine hydroxylase binds tetrahydrobiopterin cofactor with negative cooperativity, as shown by kinetic analyses and surface plasmon resonance detection

Flatmark, T., Almås, B., Knappskog, P. M., Berge, S. V., Svebak, R. M., Chehín, R. N., Muga, A., & Martı́nez, A. (1999) · European Journal of Biochemistry · doi:10.1046/j.1432-1327.1999.00445.x · Cited by 42

Geometric cooperativity and anticooperativity of three‐body interactions in native proteins

Li, X., & Liang, J. (2005) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.20438 · Cited by 42

A cationic host displaying positive cooperativity in water

Hughes, A. D., & Anslyn, E. V. (2007) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0609144104 · Cited by 42

π–π and cation–π interactions in protein–porphyrin complex crystal structures

Dimitrijević, B. P., Borozan, S. Z., & Stojanović, S. Đ. (2012) · RSC Advances · doi:10.1039/c2ra21937a · Cited by 41

Allostery Is an Intrinsic Property of the Protease Domain of DegS

Sohn, J., Grant, R. A., & Sauer, R. T. (2010) · Journal of Biological Chemistry · doi:10.1074/jbc.m110.135541 · Cited by 41

Sequence, Structure, and Active Site Analyses of p38 MAP Kinase: Exploiting DFG-out Conformation as a Strategy to Design New Type II Leads

Badrinarayan, P., & Sastry, G. N. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100340w · Cited by 41

Nonlinearity of Cationic Aromatic Amine Sorption to Aluminosilicates and Soils: Role of Intermolecular Cation−π Interactions

Vasudevan, D., Arey, T. A., Dickstein, D. R., Newman, M. H., Zhang, T. Y., Kinnear, H. M., & Bader, M. M. (2013) · Environmental Science & Technology · doi:10.1021/es403389a · Cited by 41

Buckybowls as adsorbents for CO2, CH4, and C2H2 : Binding and structural insights from computational study

Hussain, M. A., Vijay, D., & Sastry, G. N. (2015) · Journal of Computational Chemistry · doi:10.1002/jcc.24242 · Cited by 40

Three-body correlations in protein folding: the origin of cooperativity

Fernández, A., Colubri, A., & Berry, R. S. (2002) · Physica A Statistical Mechanics and its Applications · doi:10.1016/s0378-4371(01)00586-6 · Cited by 40

Probing the CH⋅⋅⋅π Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane–Benzene Cluster

Seifert, N. A., Zaleski, D. P., Pérez, C., Neill, J. L., Pate, B. H., Vallejo‐López, M., Lesarri, A. G., Cocinero, E. J., Castaño, F., & Kleiner, I. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201309848 · Cited by 40

Water Mediated Ligand Functional Group Cooperativity: The Contribution of a Methyl Group to Binding Affinity is Enhanced by a COO– Group Through Changes in the Structure and Thermodynamics of the Hydration Waters of Ligand–Thermolysin Complexes

Nasief, N. N., Tan, H., Kong, J., & Hangauer, D. G. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm300472k · Cited by 39

Cooperativity in Long α- and 310-Helical Polyalanines: Both Electrostatic and van der Waals Interactions Are Essential

Hua, S., Xu, L., Li, W., & Li, S. (2011) · The Journal of Physical Chemistry B · doi:10.1021/jp203423w · Cited by 39

Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine

Varadwaj, P. R., Varadwaj, A., & Jin, B. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp03209a · Cited by 38

DNA supercoiling enhances cooperativity and efficiency of an epigenetic switch

Nørregaard, K., Andersson, M. J., Sneppen, K., Nielsen, P. E., Brown, S., & Oddershede, L. B. (2013) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1215907110 · Cited by 38

Folding Cooperativity in a Three-stranded β-Sheet Model

Roe, D. R., Horn̆ák, V., & Simmerling, C. L. (2005) · Journal of Molecular Biology · doi:10.1016/j.jmb.2005.07.036 · Cited by 38

π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)

Bertolasi, V., Pretto, L., Gilli, G., et al. (2006) · Acta Crystallographica Section B Structural Science · doi:10.1107/s0108768106020933 · Cited by 38

A Theoretical Study on Interaction of Cyclopentadienyl Ligand with Alkali and Alkaline Earth Metals

Mahadevi, A. S., & Sastry, G. N. (2010) · The Journal of Physical Chemistry B · doi:10.1021/jp109749a · Cited by 38

Estimating binding constants – The hydrophobic effect and cooperativity

Williams, D. H., & Bardsley, B. (1999) · Perspectives in Drug Discovery and Design · doi:10.1023/a:1008770523049 · Cited by 37

Cooperativity between Water and Lipids in Lamellar to Inverted-Hexagonal Phase Transition

Hishida, M., Tanaka, K., Yamamura, Y., & Saito, K. (2014) · Journal of the Physical Society of Japan · doi:10.7566/jpsj.83.044801 · Cited by 37

Dihydrogen Bonding vs Metal−σ Interaction in Complexes between H2and Metal Hydride

Alkorta, I., Elguero, J., Solimannejad, M., & Grabowski, S. J. (2010) · The Journal of Physical Chemistry A · doi:10.1021/jp1100544 · Cited by 37

A Preliminary Investigation of the Additivity of π−π or π+−π Stacking and T-Shaped Interactions between Natural or Damaged DNA Nucleobases and Histidine

Rutledge, L. R., Churchill, C. D. M., & Wetmore, S. D. (2010) · The Journal of Physical Chemistry B · doi:10.1021/jp911990g · Cited by 37

Cooperativity and cluster growth patterns in acetonitrile: A DFT study

Remya, K., & Suresh, C. H. (2014) · Journal of Computational Chemistry · doi:10.1002/jcc.23575 · Cited by 37

Enzyme Inhibition by Allosteric Capture of an Inactive Conformation

Lee, G., Shahian, T., Baharuddin, A., Gable, J. E., & Craik, C. S. (2011) · Journal of Molecular Biology · doi:10.1016/j.jmb.2011.06.032 · Cited by 37

Michaelis and Menten and the long road to the discovery of cooperativity

Cárdenas, M. L. (2013) · FEBS Letters · doi:10.1016/j.febslet.2013.07.014 · Cited by 37

Potential choline kinase inhibitors: A molecular modeling study of bis-quinolinium compounds

Srivani, P., & Sastry, G. N. (2008) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2008.10.010 · Cited by 36

Can cooperativity in hydrophobic association be reproduced correctly by implicit solvation models?*

Czaplewski, C. R., Ripoll, D. R., Liwo, A., Rodziewicz‐Motowidło, S., Wawak, R. J., & Scheraga, H. A. (2002) · International Journal of Quantum Chemistry · doi:10.1002/qua.10077 · Cited by 36

2D and 3D Quantitative Structure‐Activity Relationship Studies on a Series of bis‐Pyridinium Compounds as Choline Kinase Inhibitors

Janardhan, S., Srivani, P., & Sastry, G. N. (2006) · QSAR & Combinatorial Science · doi:10.1002/qsar.200530199 · Cited by 35

Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions

León, Í., Millán, J., Cocinero, E. J., Lesarri, A. G., & Fernández, J. A. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201303245 · Cited by 35

Effect of Solvation on Ion Binding to Imidazole and Methylimidazole

Sharma, B., Rao, J. S., & Sastry, G. N. (2011) · The Journal of Physical Chemistry A · doi:10.1021/jp1120492 · Cited by 35

First principles study and database analyses of structural preferences for sodium ion (Na+) solvation and coordination

Neela, Y. I., Mahadevi, A. S., & Sastry, G. N. (2012) · Structural Chemistry · doi:10.1007/s11224-012-0032-0 · Cited by 35

Virtual screening filters for the design of type II p38 MAP kinase inhibitors: A fragment based library generation approach

Badrinarayan, P., & Sastry, G. N. (2012) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2011.12.009 · Cited by 34

Modeling Subunit Cooperativity in Opening of Tetrameric Ion Channels

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