RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

Basic local alignment search tool

Altschul, S. F., Gish, W., Miller, W., Myers, E. W., & Lipman, D. J. (1990) · Journal of Molecular Biology · doi:10.1006/jmbi.1990.9999 · Cited by 98,669

The Protein Data Bank

Berman, H. M. (2000) · Nucleic Acids Research · doi:10.1093/nar/28.1.235 · Cited by 40,196

The FAIR Guiding Principles for scientific data management and stewardship

Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., et al. (2016) · Scientific Data · doi:10.1038/sdata.2016.18 · Cited by 18,423

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

Wrapp, D., Wang, N., Corbett, K. S., Goldsmith, J. A., Hsieh, C.-L., Abiona, O., Graham, B. S., & McLellan, J. S. (2020) · Science · doi:10.1126/science.abb2507 · Cited by 8,897

Structure, function and antigenicity of the SARS-CoV-2 spike glycoprotein

Walls, A. C., Park, Y.-J., Tortorici, M. A., Wall, A., McGuire, A. T., & Veesler, D. (2020) · doi:10.1101/2020.02.19.956581 · Cited by 8,586

DrugBank 5.0: a major update to the DrugBank database for 2018

Wishart, D. S., Feunang, Y. D., Guo, A. C., Lo, E. J., Marcu, A., Grant, J. R., Sajed, T., Johnson, D., Li, C., Sayeeda, Z., et al. (2018) · Nucleic Acids Research · doi:10.1093/nar/gkx1037 · Cited by 8,404

UniProt: a worldwide hub of protein knowledge

The UniProt Consortium (2019) · Nucleic Acids Research · doi:10.1093/nar/gky1049 · Cited by 7,698

Reference sequence (RefSeq) database at NCBI: current status, taxonomic expansion, and functional annotation

O'Leary, N. A., Wright, M. W., Brister, J. R., Ciufo, S., Haddad, D., McVeigh, R., Rajput, B., Robbertse, B., Smith-White, B., Ako-Adjei, D., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv1189 · Cited by 6,357

The Pfam protein families database: towards a more sustainable future

Finn, R. D., Coggill, P., Eberhardt, R. Y., Eddy, S. R., Mistry, J., Mitchell, A. L., Potter, S. C., Punta, M., Qureshi, M., Sangrador-Vegas, A., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv1344 · Cited by 5,975

The GTEx Consortium atlas of genetic regulatory effects across human tissues

The GTEx Consortium, Aguet, F., Anand, S., Ardlie, K. G., Gabriel, S., Getz, G. A., Graubert, A., Hadley, K., Handsaker, R. E., Huang, K. H., et al. (2020) · Science · doi:10.1126/science.aaz1776 · Cited by 5,547

Genomic and transcriptomic analysis of the recent Mpox outbreak

Giorgi, F. M., Pozzobon, D., Di Meglio, A., & Mercatelli, D. (2024) · Vaccine · doi:10.1016/j.vaccine.2023.12.086 · Cited by 64

Fusion-Based Deep Learning Architecture for Detecting Drug-Target Binding Affinity Using Target and Drug Sequence and Structure

Wang, K., & Li, M. (2023) · IEEE Journal of Biomedical and Health Informatics · doi:10.1109/jbhi.2023.3315073 · Cited by 29

α-Lactalbumin: Functional properties and potential health benefits

Ge, X., Zhang, J., Regenstein, J. M., Liu, D., Huang, Y., Qiao, Y., & Zhou, P. (2024) · Food Bioscience · doi:10.1016/j.fbio.2024.104371 · Cited by 30

The hallmarks of a tradeoff in transcriptomes that balances stress and growth functions

Dalldorf, C., Rychel, K., Szubin, R., Hefner, Y., Patel, A., Zielinski, D. C., & Palsson, B. Ø. (2024) · mSystems · doi:10.1128/msystems.00305-24 · Cited by 28

PTMD 2.0: an updated database of disease-associated post-translational modifications

Huang, X., Feng, Z., Liu, D., Gou, Y., Chen, M., Tang, D., Han, C., Peng, J., Peng, D., & Xue, Y. (2024) · Nucleic Acids Research · doi:10.1093/nar/gkae850 · Cited by 31

From systems to structure — using genetic data to model protein structures

Braberg, H., Echeverria, I., Kaake, R. M., Šali, A., & Krogan, N. J. (2022) · Nature Reviews Genetics · doi:10.1038/s41576-021-00441-w · Cited by 30

Drug repurposing in silico screening platforms

Mullins, J. G. L. (2022) · Biochemical Society Transactions · doi:10.1042/bst20200967 · Cited by 29

Green Synthesis and Anticancer Potential of 1,4-Dihydropyridines-Based Triazole Derivatives: In Silico and In Vitro Study

Bijani, S., Iqbal, D., Mirza, S., Jain, V. D., Jahan, S., Alsaweed, M., Madkhali, Y., Alsagaby, S. A., Banawas, S., Algarni, A., et al. (2022) · Life · doi:10.3390/life12040519 · Cited by 29

Potential Role of the Host-Derived Cell-Wall Binding Domain of Endolysin CD16/50L as a Molecular Anchor in Preservation of Uninfected Clostridioides difficile for New Rounds of Phage Infection

Phothichaisri, W., Chankhamhaengdecha, S., Janvilisri, T., Nuadthaisong, J., Phetruen, T., Fagan, R. P., & Chanarat, S. (2022) · Microbiology Spectrum · doi:10.1128/spectrum.02361-21 · Cited by 29

Molecular dynamics simulations reveal the inhibitory mechanism of Withanolide A against α-glucosidase and α-amylase

Oyewusi, H. A., Wu, Y. S., Safi, S. Z., Wahab, R. A., Hatta, M. H. M., & Batumalaie, K. (2022) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2022.2104375 · Cited by 29

NACDDB: Nucleic Acid Circular Dichroism Database

Cappannini, A., Mosca, K., Mukherjee, S., Moafinejad, S. N., Sinden, R. R., Arluison, V., Bujnicki, J. M., & Wien, F. (2022) · Nucleic Acids Research · doi:10.1093/nar/gkac829 · Cited by 29

Integrated serum pharmacochemistry, 16S rRNA sequencing and metabolomics to reveal the material basis and mechanism of Yinzhihuang granule against non-alcoholic fatty liver disease

Tan, Y., Huang, Z., Liu, Y., Li, X., Stalin, A., Fan, X., Wu, Z., Wu, C., Lu, S., Zhang, F., et al. (2023) · Journal of Ethnopharmacology · doi:10.1016/j.jep.2023.116418 · Cited by 29

Seq-InSite: sequence supersedes structure for protein interaction site prediction

Hosseini, S., Golding, G. B., & Ilie, L. (2024) · Bioinformatics · doi:10.1093/bioinformatics/btad738 · Cited by 26

Open data and algorithms for open science in AI-driven molecular informatics

Brinkhaus, H. O., Rajan, K., Schaub, J., Zielesny, A., & Steinbeck, C. (2023) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2023.102542 · Cited by 29

Identification of a Novel Therapeutic Target against XDR Salmonella Typhi H58 Using Genomics Driven Approach Followed Up by Natural Products Virtual Screening

Jalal, K., Khan, K., Hassam, M., Abbas, M. N., Uddin, R., Khusro, A., Sahibzada, M. U. K., & Gajdács, M. (2021) · Microorganisms · doi:10.3390/microorganisms9122512 · Cited by 28

Systematic Understanding of Anti-Aging Effect of Coenzyme Q10 on Oocyte Through a Network Pharmacology Approach

Yang, L., Wang, H., Song, S., Xu, H., Chen, Y., Tian, S., Zhang, Y., & Zhang, Q. (2022) · Frontiers in Endocrinology · doi:10.3389/fendo.2022.813772 · Cited by 28

Interaction Analysis of the Spike Protein of Delta and Omicron Variants of SARS-CoV-2 with hACE2 and Eight Monoclonal Antibodies Using the Fragment Molecular Orbital Method

Hwang, S., Baek, S., & Park, D. (2022) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.2c00100 · Cited by 28

Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors

Broni, E., Ashley, C. N., Adams, J., Manu, H., Aikins, E., Okom, M., Miller, W. A., Wilson, M. D., & Kwofie, S. K. (2023) · International Journal of Molecular Sciences · doi:10.3390/ijms24076298 · Cited by 29

Antifungal plant flavonoids identified in silico with potential to control rice blast disease caused by Magnaporthe oryzae

Moin, A. T., Robin, T. B., Patil, R. B., Rani, N. A., Prome, A. A., Sakif, T. I., Hossain, M., Chowdhury, D. U. S., Rashid, S. S., Mollah, A. K. M. M., et al. (2024) · PLoS ONE · doi:10.1371/journal.pone.0301519 · Cited by 28

HLA3DB: comprehensive annotation of peptide/HLA complexes enables blind structure prediction of T cell epitopes

Gupta, S., Nerli, S., Kutti Kandy, S., Mersky, G. L., & Sgourakis, N. G. (2023) · Nature Communications · doi:10.1038/s41467-023-42163-z · Cited by 26

Design in the DARK: Learning Deep Generative Models for De Novo Protein Design

Moffat, L., Kandathil, S. M., & Jones, D. T. (2022) · doi:10.1101/2022.01.27.478087 · Cited by 25

Computational Analysis Illustrates the Mechanism of Qingfei Paidu Decoction in Blocking the Transition of COVID-19 Patients from Mild to Severe Stage

Chen, W., Li, X., Liu, X., Lin, Y., Tang, Q., & Meng, F. (2021) · Current Gene Therapy · doi:10.2174/1566523221666210907162005 · Cited by 27

Purification, Identification and Characterization of Antioxidant Peptides from Corn Silk Tryptic Hydrolysate: An Integrated In Vitro-In Silico Approach

Ong, J., Koh, J.-A., Cao, H., Tan, S.-A. S. W., Manan, F. A., Wong, F., & Chai, T. (2021) · Antioxidants · doi:10.3390/antiox10111822 · Cited by 27

Potential Target Analysis of Triptolide Based on Transcriptome-Wide m6A Methylome in Rheumatoid Arthritis

Fan, D., Liu, B., Gu, X., Zhang, Q., Ye, Q., Xi, X., Xia, Y., Wang, Q., Wang, Z., Wang, B., et al. (2022) · Frontiers in Pharmacology · doi:10.3389/fphar.2022.843358 · Cited by 27

Hydroxysafflor Yellow A Alleviates Ischemic Stroke in Rats via HIF-1α, BNIP3, and Notch1-Mediated Inhibition of Autophagy

Zhang, Y., Liu, Y., Cui, Q., Fu, Z., Yu, H., Liu, A., Liu, J., Qin, X., Ge, S., & Zhang, G. (2022) · The American Journal of Chinese Medicine · doi:10.1142/s0192415x22500331 · Cited by 27

Immunoinformatic approach for the construction of multi-epitopes vaccine against omicron COVID-19 variant

Khan, K., Khan, S., Jalal, K., Ul-haq, Z., & Uddin, R. (2022) · Virology · doi:10.1016/j.virol.2022.05.001 · Cited by 25

Molecular Docking and Dynamics Simulation Studies Predict Potential Anti-ADAR2 Inhibitors: Implications for the Treatment of Cancer, Neurological, Immunological and Infectious Diseases

Broni, E., Striegel, A., Ashley, C. N., Sakyi, P. O., Peracha, S., Velazquez, M., Bebla, K., Sodhi, M., Kwofie, S. K., Ademokunwa, A., et al. (2023) · International Journal of Molecular Sciences · doi:10.3390/ijms24076795 · Cited by 29

Network pharmacology based anti-diabetic attributes of bioactive compounds from Ocimum gratissimum L. through computational approach

Halayal, R. Y., Bagewadi, Z. K., Maliger, R. B., Jadidi, S. A., & Deshpande, S. (2023) · Saudi Journal of Biological Sciences · doi:10.1016/j.sjbs.2023.103766 · Cited by 31

The JAK/STAT/NF-κB signaling pathway can be regulated by rosemary essential oil, thereby providing a potential treatment for DNCB-induced in mice.

Li, J.-K., Duan, J., Wang, Y.-J., Zhou, P., Wang, X., Xia, N., Wang, J., Li, J., Wang, W.-F., Wang, X., et al. (2023) · Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · doi:10.1016/j.biopha.2023.115727 · Cited by 25

Comprehensive Collection and Prediction of ABC Transmembrane Protein Structures in the AI Era of Structural Biology

Tordai, H., Suhajda, E., Sillitoe, I., Nair, S., Varadi, M., & Hegedus, T. (2022) · International Journal of Molecular Sciences · doi:10.3390/ijms23168877 · Cited by 22

EnGens: a computational framework for generation and analysis of representative protein conformational ensembles

Conev, A., Rigo, M. M., Devaurs, D., Fonseca, A. F., Kalavadwala, H., de Freitas, M. V., Clementi, C., Zanatta, G., Antunes, D. A., & Kavraki, L. E. (2023) · Briefings in Bioinformatics · doi:10.1093/bib/bbad242 · Cited by 28

Protein-based nanomedicines for cancer theranostics: From supramolecular self-assembly to AI-driven design and applications

Cheng, H., Yang, C., Wang, J., Liu, H., Zhang, K., Wu, R., Li, J., Fang, Y., Hu, R., Jeong, H., et al. (2025) · Chem · doi:10.1016/j.chempr.2025.102624 · Cited by 29

MolMiner: You Only Look Once for Chemical Structure Recognition

Xu, Y., Xiao, J., Chou, C.-H., Zhang, J., Zhu, J., Hu, Q., He-min, L., Han, N., Liu, B., Zhang, S., et al. (2022) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.2c00733 · Cited by 30

Protein–ligand binding affinity prediction with edge awareness and supervised attention

Gu, Y., Zhang, X., Xu, A., Chen, W., Liu, K., Wu, L., Mo, S., Hu, Y. Q., Liu, M., & Luo, Q. (2022) · iScience · doi:10.1016/j.isci.2022.105892 · Cited by 30

Multi-omics and network pharmacology study reveals the effects of Dengzhan Shengmai capsule against neuroinflammatory injury and thrombosis induced by ischemic stroke

Ye, J., Huang, F., Zeng, H., Xu, X., Wu, G., Tian, S., Zhao, J., & Zhang, W. (2022) · Journal of Ethnopharmacology · doi:10.1016/j.jep.2022.116092 · Cited by 26

Antimicrobial Potential of Betulinic Acid and Investigation of the Mechanism of Action against Nuclear and Metabolic Enzymes with Molecular Modeling

Rodrigues, G. C. S., Maia, M. D. S., de Souza, T. A., Lima, E. D. O., dos Santos, L. E. C. G., Silva, S. L., da Silva, M. S., Barbosa‐Filho, J. M., Rodrigues-Junior, V. S., Scotti, L., et al. (2023) · Pathogens · doi:10.3390/pathogens12030449 · Cited by 27

Comparative Performance of High-Throughput Methods for Protein pKa Predictions

Wei, W., Hogues, H., & Sulea, T. I. (2023) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.3c00165 · Cited by 26

Evolution of the SARS-CoV-2 proteome in three dimensions (3D) during the first six months of the COVID-19 pandemicPreprint

Lubin, J. H., Zardecki, C., Dolan, E. M., Lu, C., Shen, Z., Dutta, S., Westbrook, J., Hudson, B. P., Goodsell, D. S., Williams, J. K., et al. (2020) · bioRxiv (Cold Spring Harbor Laboratory) · doi:10.1101/2020.12.01.406637 · Cited by 26

Bioinformatics-guided discovery of biaryl-linked lasso peptides

Saad, H. H., Majer, T., Bhattarai, K., Lampe, S., Nguyen, D. T., Krämer, M., Straetener, J., Brötz‐Oesterhelt, H., Mitchell, D. A., & Gross, H. (2023) · Chemical Science · doi:10.1039/d3sc02380j · Cited by 25

Finding inhibitors for PCSK9 using computational methods

Zainab, R., Kaleem, A., Ponczek, M. B., Abdullah, R., Iqtedar, M., & Hoessli, D. C. (2021) · PLoS ONE · doi:10.1371/journal.pone.0255523 · Cited by 25

Novel Cyclic Peptides for Targeting EGFR and EGRvIII Mutation for Drug Delivery

Furman, O., Zaporozhets, A., Tobi, D., Bazylevich, A., Firer, M. A., Patsenker, L. D., Gellerman, G., & Lubin, B. C. R. (2022) · Pharmaceutics · doi:10.3390/pharmaceutics14071505 · Cited by 27

Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning Network

Du, H., Jiang, D., Gao, J., Zhang, X., Jiang, L., Zeng, Y., Wu, Z., Shen, C., Xu, L., Cao, D., et al. (2022) · Research · doi:10.34133/2022/9873564 · Cited by 23

Synthesis, in-silico studies, and biological evaluation of some novel 3-thiazolyl-indoles as CDK2–inhibitors

Gomha, S. M., Zaki, M. E. A., Maliwal, D., Pissurlenkar, R. R. S., Ibrahim, M., Fathalla, M., & Hussein, A. M. (2023) · Results in Chemistry · doi:10.1016/j.rechem.2023.101209 · Cited by 25

Liver X Receptors (LXRs) in cancer-an Eagle’s view on molecular insights and therapeutic opportunities

Ramalingam, P. S., Elangovan, S., Ramaiah, M. J., & Arumugam, S. (2024) · Frontiers in Cell and Developmental Biology · doi:10.3389/fcell.2024.1386102 · Cited by 25

MrParse : finding homologues in the PDB and the EBI AlphaFold database for molecular replacement and more

Simpkin, A. J., Thomas, J. M. H., Keegan, R. M., & Rigden, D. J. (2022) · Acta Crystallographica Section D Structural Biology · doi:10.1107/s2059798322003576 · Cited by 24

Experimental approaches for investigating ion atmospheres around nucleic acids and proteins

Yu, B., & Iwahara, J. (2021) · Computational and Structural Biotechnology Journal · doi:10.1016/j.csbj.2021.04.033 · Cited by 24

Repurposing of the ALK Inhibitor Crizotinib for Acute Leukemia and Multiple Myeloma Cells

Boulos, J. C., Saeed, M. E. M., Chatterjee, M., Bülbül, Y., Crudo, F., Marko, D., Munder, M., Klauck, S. M., & Efferth, T. (2021) · Pharmaceuticals · doi:10.3390/ph14111126 · Cited by 24

EMBER—Embedding Multiple Molecular Fingerprints for Virtual Screening

Mendolia, I., Contino, S., Simone, G. D., Perricone, U., & Pirrone, R. (2022) · International Journal of Molecular Sciences · doi:10.3390/ijms23042156 · Cited by 24

Exploring the Potential Toxicological Mechanisms of Vine Tea on the Liver Based on Network Toxicology and Transcriptomics

Xiao, F., Qiu, J., & Zhao, Y. (2022) · Frontiers in Pharmacology · doi:10.3389/fphar.2022.855926 · Cited by 24

Modeling of MT. P495, an mRNA-based vaccine against the phosphate-binding protein PstS1 of Mycobacterium tuberculosis

Shahrear, S., & Islam, A. B. M. M. K. (2022) · Molecular Diversity · doi:10.1007/s11030-022-10515-4 · Cited by 24

StackPR is a new computational approach for large-scale identification of progesterone receptor antagonists using the stacking strategy

Schaduangrat, N., Anuwongcharoen, N., Moni, M. A., Lió, P., Charoenkwan, P., & Shoombuatong, W. (2022) · Scientific Reports · doi:10.1038/s41598-022-20143-5 · Cited by 24

Identification of Antiviral Compounds against Monkeypox Virus Profilin-like Protein A42R from Plantago lanceolata

Bajrai, L. H., Alharbi, A. S., El-Daly, M. M., Bafaraj, A. G., Dwivedi, V. D., & Azhar, E. I. (2022) · Molecules · doi:10.3390/molecules27227718 · Cited by 24

A Novel Subfamily GH13_46 of the α-Amylase Family GH13 Represented by the Cyclomaltodextrinase from Flavobacterium sp. No. 92

Mareček, F., & Janeĉek, Ŝ. (2022) · Molecules · doi:10.3390/molecules27248735 · Cited by 24

Dual Piperidine-Based Histamine H 3 and Sigma-1 Receptor Ligands in the Treatment of Nociceptive and Neuropathic Pain

Szczepańska, K., Karcz, T. P., Dichiara, M., Mogilski, S., Kalinowska‐Tłuścik, J., Pilarski, B., Leniak, A., Pietruś, W., Podlewska, S., Popiołek-Barczyk, K., et al. (2023) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.3c00430 · Cited by 25

Calculation of Protein Folding Thermodynamics Using Molecular Dynamics Simulations

(2023) · doi:10.1021/acs.jcim.3c01107 · Cited by 24

Network analysis, in vivo, and in vitro experiments identified the mechanisms by which Piper longum L. [Piperaceae] alleviates cartilage destruction, joint inflammation, and arthritic pain

Jo, H.-G., Baek, C. Y., Kim, D.-H., Kim, S. J., Han, Y., Park, C., Song, H. S., & Lee, D. (2024) · Frontiers in Pharmacology · doi:10.3389/fphar.2023.1282943 · Cited by 28

Missense3D-PPI: A Web Resource to Predict the Impact of Missense Variants at Protein Interfaces Using 3D Structural Data

Pennica, C., Hanna, G., Islam, S. A., Sternberg, M. J. E., & David, A. (2023) · Journal of Molecular Biology · doi:10.1016/j.jmb.2023.168060 · Cited by 25

Ribocentre-switch: a database of riboswitches

Bu, F., Lin, X., Liao, W., Lu, Z., He, Y., Luo, Y., Peng, X., Li, M., Huang, Y., Chen, X., et al. (2023) · Nucleic Acids Research · doi:10.1093/nar/gkad891 · Cited by 26

GTalign: spatial index-driven protein structure alignment, superposition, and search

(2024) · doi:10.1038/s41467-024-51669-z · Cited by 23

Loss of the mitochondrial phosphate carrier SLC25A3 induces remodeling of the cardiac mitochondrial protein acylome

Peoples, J. N., Ghazal, N., Duong, D. M., Hardin, K. R., Manning, J. R., Seyfried, N. T., Faúndez, V., & Kwong, J. Q. (2021) · American Journal of Physiology-Cell Physiology · doi:10.1152/ajpcell.00156.2021 · Cited by 23

5-O-(N-Boc-l-Alanine)-Renieramycin T Induces Cancer Stem Cell Apoptosis via Targeting Akt Signaling

Suksamai, D., Racha, S., Sriratanasak, N., Chaotham, C., Aphicho, K., Lin, A. C. K., Chansriniyom, C., Suwanborirux, K., Chamni, S., & Pithi Chanvorachote, B. (2022) · Marine Drugs · doi:10.3390/md20040235 · Cited by 23

Molecular insights into the interaction of HPV-16 E6 variants against MAGI-1 PDZ1 domain

Araujo‐Arcos, L. E., Montaño, S., Bello‐Rios, C., Garibay‐Cerdenares, O. L., Leyva‐Vázquez, M. A., & Illades‐Aguiar, B. (2022) · Scientific Reports · doi:10.1038/s41598-022-05995-1 · Cited by 23

py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD

Barhaghi, M. S., Crawford, B., Schwing, G., Hardy, D. J., Stone, J. E., Schwiebert, L., Potoff, J. J., & Tajkhorshid, E. (2022) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.1c00911 · Cited by 23

SENSDeep: An Ensemble Deep Learning Method for Protein–Protein Interaction Sites Prediction

Aybey, E., & Gümüş, Ö. (2022) · Interdisciplinary Sciences Computational Life Sciences · doi:10.1007/s12539-022-00543-x · Cited by 23

Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction

Wang, S., Ma, Y., Hu, Y., Huang, Y., Huang, Y., & Wu, Y. (2022) · Frontiers in Aging Neuroscience · doi:10.3389/fnagi.2022.1052249 · Cited by 24

Interaction of Polystyrene Nanoparticles with Supported Lipid Bilayers: Impact of Nanoparticle Size and Protein Corona

Meesaragandla, B., Blessing, D. O., Karanth, S., Rong, A., Geist, N., & Delcea, M. (2023) · Macromolecular Bioscience · doi:10.1002/mabi.202200464 · Cited by 22

Cumulative effects of exercise training and consumption of propolis on managing diabetic dyslipidemia in adult women: a single-blind, randomized, controlled trial with pre–post-intervention assessments

Moayedi, F., Taghian, F., Dehkordi, K. J., & Hosseini, S. A. (2023) · The Journal of Physiological Sciences · doi:10.1186/s12576-023-00872-6 · Cited by 23

Molecular docking of bioactive compounds extracted and purified from selected medicinal plant species against covid-19 proteins and in vitro evaluation

Khanum, A., Bibi, Y., Khan, I., Mustafa, G., Attia, K. A., Mohammed, A. A., Yang, S. H., & Qayyum, A. (2024) · Scientific Reports · doi:10.1038/s41598-024-54470-6 · Cited by 26

Herb-CMap: a multimodal fusion framework for deciphering the mechanisms of action in traditional Chinese medicine using Suhuang antitussive capsule as a case study

Wang, Y., Sui, Y., Yao, J., Jiang, H., Tian, Q., Tang, Y., Ou, Y., Tang, J. P., & Tan, N. (2024) · Briefings in Bioinformatics · doi:10.1093/bib/bbae362 · Cited by 22

Machine learning builds full-QM precision protein force fields in seconds

Han, Y., Wang, Z., Wei, Z., Liu, J., & Li, J. (2021) · Briefings in Bioinformatics · doi:10.1093/bib/bbab158 · Cited by 22

Functional coding haplotypes and machine-learning feature elimination identifies predictors of Methotrexate Response in Rheumatoid Arthritis patients

Lim, A. J. W., Lim, L. J., Ooi, B. N. S., Koh, E. T., Tan, J. W. L., Chong, S. S., Khor, C. C., Tucker‐Kellogg, L., Leong, K. P., & Lee, C. G. L. (2022) · EBioMedicine · doi:10.1016/j.ebiom.2021.103800 · Cited by 22

The Rad9–Rad1–Hus1 DNA Repair Clamp is Found in Microsporidia

dos Santos, A. C. M., Julian, A. T., & Pombert, J. (2022) · Genome Biology and Evolution · doi:10.1093/gbe/evac053 · Cited by 21

Seafood Paramyosins as Sources of Anti-Angiotensin-Converting-Enzyme and Anti-Dipeptidyl-Peptidase Peptides after Gastrointestinal Digestion: A Cheminformatic Investigation

Chai, T., Wong, C. C.-C., Sabri, M. Z., & Wong, F. (2022) · Molecules · doi:10.3390/molecules27123864 · Cited by 22

A molecular evolution algorithm for ligand design in DOCK

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