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

Indole-3-acetic acid impacts biofilm formation and virulence production of Pseudomonas aeruginosa

Jayaraman, S., Kannan, M. A., Rajendhran, N., Georrge, J. J., & Ramasamy, T. (2023) · Biofouling · doi:10.1080/08927014.2023.2269537 · Cited by 17

DescribePROT in 2023: more, higher-quality and experimental annotations and improved data download options

Basu, S., Zhao, B., Biró, B., Faraggi, E., Gsponer, J. A., Hu, G., Kloczkowski, A., Malhis, N., Mirdita, M., Söding, J., et al. (2023) · Nucleic Acids Research · doi:10.1093/nar/gkad985 · Cited by 15

ABAG-docking benchmark: a non-redundant structure benchmark dataset for antibody–antigen computational docking

Zhao, N., Han, B., Zhao, C., Xu, J., & Gong, X. (2024) · Briefings in Bioinformatics · doi:10.1093/bib/bbae048 · Cited by 19

Strategies to identify candidate repurposable drugs: COVID-19 treatment as a case example

Imami, A. S., McCullumsmith, R. E., & O'Donovan, S. M. (2021) · Translational Psychiatry · doi:10.1038/s41398-021-01724-w · Cited by 17

From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A Virus

Aledavood, E., Selmi, B., Estarellas, C., Masetti, M., & Luque, F. J. (2022) · Frontiers in Molecular Biosciences · doi:10.3389/fmolb.2021.796229 · Cited by 15

Molecular Mechanism Underlying Effects of Wumeiwan on Steroid-Dependent Asthma: A Network Pharmacology, Molecular Docking, and Experimental Verification Study

Lyu, M., Wang, Y., Chen, Q., Qin, J., Hou, D., Huang, S., Shao, D., Gong, X., Huang, G., Zhang, S., et al. (2022) · Drug Design Development and Therapy · doi:10.2147/dddt.s349950 · Cited by 15

Study on the mechanism of Cortex Lycii on lung cancer based on network pharmacology combined with experimental validation

Guo, Z., Yin, H., Wu, T., Wu, S., Liu, L., Zhang, L., He, Y., Zhang, R., & Liu, N. (2022) · Journal of Ethnopharmacology · doi:10.1016/j.jep.2022.115280 · Cited by 17

Genetic and Structural Analysis of SARS-CoV-2 Spike Protein for Universal Epitope Selection

Markosian, C., Staquicini, D. I., Dogra, P., Dodero‐Rojas, E., Lubin, J. H., Tang, F. H. F., Smith, T. L., Contessoto, V. G., Libutti, S. K., Wang, Z., et al. (2022) · Molecular Biology and Evolution · doi:10.1093/molbev/msac091 · Cited by 15

Comprehensive characterization of posttranscriptional impairment-related 3′-UTR mutations in 2413 whole genomes of cancer patients

Wei, W., Gao, W., Li, Q., Liu, Y., Chen, H., Cui, Y., Sun, Z. S., & Liu, Z. (2022) · npj Genomic Medicine · doi:10.1038/s41525-022-00305-0 · Cited by 15

Identification of Putative Plant-Based ALR-2 Inhibitors to Treat Diabetic Peripheral Neuropathy

Saeed, M., Tasleem, M., Shoib, A., Kausar, M. A., Sulieman, A. M. E., Alabdallah, N. M., Asmar, Z. E., Abdelgadir, A., AL-Shammary, A. A., Alam, M. J., et al. (2022) · Current Issues in Molecular Biology · doi:10.3390/cimb44070194 · Cited by 15

LPI-CSFFR: Combining serial fusion with feature reuse for predicting LncRNA-protein interactions

Huang, X., Shi, Y. Y., Yan, J. Y., Qu, W., Li, X., & Tan, J. (2022) · Computational Biology and Chemistry · doi:10.1016/j.compbiolchem.2022.107718 · Cited by 14

Evaluating the therapeutic role of selected active compounds in Plumula Nelumbinis on pulmonary hypertension via network pharmacology and experimental analysis

Xiao, X., Luo, F., Fu, M., Jiang, Y., Liu, S., & Liu, B. (2022) · Frontiers in Pharmacology · doi:10.3389/fphar.2022.977921 · Cited by 15

DPHB, a diarylheptane from Alpinia officinarum Hance, ameliorates insulin resistance: A network pharmacology and in vitro study

Li, X., Wen, H., Zhang, Y., Liu, A., Zhang, X., Fu, M., Pan, Y., Xu, J., & Zhang, J. (2022) · Frontiers in Pharmacology · doi:10.3389/fphar.2022.956812 · Cited by 15

Analysis of P-Glycoprotein Transport Cycle Reveals a New Way to Identify Efflux Inhibitors

Grigoreva, T. A., Владимировна, В. С., Novikova, D., & Tribulovich, V. G. (2022) · ACS Omega · doi:10.1021/acsomega.2c04768 · Cited by 15

CRESSP: a comprehensive pipeline for prediction of immunopathogenic SARS-CoV-2 epitopes using structural properties of proteins

An, H., Eun, M., Yi, J., & Park, J. (2022) · Briefings in Bioinformatics · doi:10.1093/bib/bbac056 · Cited by 16

AlphaFold2 and RoseTTAFold predict posttranslational modifications. Chromophore formation in GFP-like proteins

Hartley, S. M., Tiernan, K. A., Ahmetaj, G., Cretu, A., Zhuang, Y., & Zimmer, M. (2022) · PLOS ONE · doi:10.1371/journal.pone.0267560 · Cited by 15

A novel consensus‐based computational pipeline for screening of antibody therapeutics for efficacy against SARS‐CoV‐2 variants of concern including Omicron variant

Kumar, N., Kaushik, R., Zhang, K. Y. J., Uversky, V. N., Sahu, U., Sood, R., & Bhatia, S. (2023) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.26467 · Cited by 15

Detecting Rewiring Events in Protein-Protein Interaction Networks Based on Transcriptomic Data

Hollander, M., Do, T., Will, T., & Helms, V. (2021) · Frontiers in Bioinformatics · doi:10.3389/fbinf.2021.724297 · Cited by 14

SMART v1.0: A Database for Small Molecules with Functional Implications in Plants

Lei, B., Song, M., Li, X., Dang, X., Qin, R., Zhu, S., An, X., Liu, Q., Yao, X., Nie, Y., et al. (2021) · Interdisciplinary Sciences Computational Life Sciences · doi:10.1007/s12539-021-00480-1 · Cited by 14

Encoding protein dynamic information in graph representation for functional residue identification

Chiang, Y., Hui, W.-H., & Chang, S. (2022) · Cell Reports Physical Science · doi:10.1016/j.xcrp.2022.100975 · Cited by 13

The functional mechanisms of synchronizing royal jelly consumption and physical activity on rat with multiple sclerosis-like behaviors hallmarks based on bioinformatics analysis, and experimental survey

Lohrasbi, M., Taghian, F., Dehkordi, K. J., & Hosseini, S. A. (2022) · BMC Neuroscience · doi:10.1186/s12868-022-00720-0 · Cited by 15

Panoramic Perspective on Human Phosphosites

Ramasamy, P., Vandermarliere, E., Vranken, W., & Martens, L. (2022) · Journal of Proteome Research · doi:10.1021/acs.jproteome.2c00164 · Cited by 14

Atomic Details of Biomineralization Proteins Inspiring Protein Design and Reengineering for Functional Biominerals

Costanzo, L. D. (2022) · Chemistry · doi:10.3390/chemistry4030059 · Cited by 14

The sequence context in poly-alanine regions: structure, function and conservation

Mier, P., Elena‐Real, C. A., Cortés, J., Bernadó, P., & Andrade-Navarro, M. A. (2022) · Bioinformatics · doi:10.1093/bioinformatics/btac610 · Cited by 13

Network pharmacology and experimental validation to reveal the target of matrine against PRRSV

Zhao, Y., Ling, X., Zhang, H., Sun, P., Sun, Y., Yin, W. H., Fan, K., Yang, H., Zhong, J., Zhang, Z., et al. (2023) · iScience · doi:10.1016/j.isci.2023.106371 · Cited by 15

Meropenem in combination with baicalein exhibits synergism against extensively drug resistant and pan-drug-resistant Acinetobacter baumannii clinical isolates in vitro

Güran, M., Çakıral, K., Teralı, K., Kandemir, T., Şanlıtürk, G., Meral, M., Nağıyev, T., & Köksal, F. (2023) · Pathogens and Disease · doi:10.1093/femspd/ftad007 · Cited by 14

Developing TeroENZ and TeroMAP modules for the terpenome research platform TeroKit

Chen, N., Zhang, R., Zeng, T., Zhang, X., & Wu, R. (2023) · Database · doi:10.1093/database/baad020 · Cited by 14

Cinchonine and cinchonidine alleviate cisplatin‐induced ototoxicity by regulating PI3K‐AKT signaling

Tang, D., Wang, X., Wu, J., Li, Y., Li, C., Qiao, X., Fan, L., Chen, Y., Zhu, H., Zhang, Z., et al. (2023) · CNS Neuroscience & Therapeutics · doi:10.1111/cns.14403 · Cited by 14

An Integrated Molecular Networking and Docking Approach to Characterize the Metabolome of Helichrysum splendidum and Its Pharmaceutical Potentials

Lephatsi, M. M., Choene, M. S., Kappo, A. P., Madala, N. E., & Tugizimana, F. (2023) · Metabolites · doi:10.3390/metabo13101104 · Cited by 14

Gene silencing of Helicobacter pylori through newly designed siRNA convenes the treatment of gastric cancer

Reza, M. N., Mahmud, S., Ferdous, N., Ahammad, I., Hossain, M. U., Amin, M. A., & Mohiuddin, A. K. M. (2023) · Cancer Medicine · doi:10.1002/cam4.6772 · Cited by 14

Sulfadiazine Exerts Potential Anticancer Effect in HepG2 and MCF7 Cells by Inhibiting TNFα, IL1b, COX-1, COX-2, 5-LOX Gene Expression: Evidence from In Vitro and Computational Studies

Gomaa, M. S., Gad, W., Hussein, D. A., Pottoo, F. H., Tawfeeq, N., Alturki, M. S., Alfahad, D., Alanazi, R., Salama, I., Aziz, M., et al. (2024) · Pharmaceuticals · doi:10.3390/ph17020189 · Cited by 14

DeePNAP: A Deep Learning Method to Predict Protein–Nucleic Acid Binding Affinity from Their Sequences

Pandey, U., Behara, S. M., Sharma, S., Patil, R. S., Nambiar, S., Koner, D., & Bhukya, H. (2024) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.3c01151 · Cited by 14

Exploring the Effects and Potential Mechanisms of Hesperidin for the Treatment of CPT-11-Induced Diarrhea: Network Pharmacology, Molecular Docking, and Experimental Validation

Shu, X., Xu, R., Xiong, P., Liu, J., Zhou, Z., Shen, T., & Zhang, X. (2024) · International Journal of Molecular Sciences · doi:10.3390/ijms25179309 · Cited by 14

A new target for curcumin in the treatment of non-alcoholic fatty liver disease: the FTO protein

Ye, F., Yang, C., Pan, J., Ye, W., Zhang, J., Zeng, R., Chen, Z., & Liu, X. (2025) · International Journal of Biological Macromolecules · doi:10.1016/j.ijbiomac.2025.145642 · Cited by 14

3DFI: a pipeline to infer protein function using structural homology

Julian, A. T., dos Santos, A. C. M., & Pombert, J. (2021) · Bioinformatics Advances · doi:10.1093/bioadv/vbab030 · Cited by 17

Identification of novel potential anti-diabetic candidates targeting human pancreatic α-amylase and human α-glycosidase: an exhaustive structure-based screening

Maliwal, D., Pissurlenkar, R. R. S., & Telvekar, V. N. (2021) · Canadian Journal of Chemistry · doi:10.1139/cjc-2021-0238 · Cited by 14

Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network

Nikolaienko, T. Y., Gurbych, O., & Druchok, M. (2022) · Journal of Computational Chemistry · doi:10.1002/jcc.26831 · Cited by 16

BIPSPI+: Mining Type-Specific Datasets of Protein Complexes to Improve Protein Binding Site Prediction

Sánchez-García, R., Macías, J. R., Sorzano, C. Ó. S., Carazo, J. M., & Segura, J. (2022) · Journal of Molecular Biology · doi:10.1016/j.jmb.2022.167556 · Cited by 14

Computational Insight into Biotransformation Profiles of Organophosphorus Flame Retardants to Their Diester Metabolites by Cytochrome P450

Jia, Y., Yao, T., Ma, G., Xu, Q. K., Zhao, X., Ding, H., Wei, X., Yu, H., & Wang, Z. (2022) · Molecules · doi:10.3390/molecules27092799 · Cited by 14

An Integrated Mass Spectrometry-Based Glycomics-Driven Glycoproteomics Analytical Platform to Functionally Characterize Glycosylation Inhibitors

Alvarez, M. R., Zhou, Q., Grijaldo-Alvarez, S. J. B., Lebrilla, C. B., Nacario, R. C., Heralde, F. M., Rabajante, J. F., & Completo, G. C. J. (2022) · Molecules · doi:10.3390/molecules27123834 · Cited by 14

In Silico Insights on the Pro-Inflammatory Potential of Polycyclic Aromatic Hydrocarbons and the Prospective Anti-Inflammatory Capacity of Andrographis paniculata Phytocompounds

Julaton, T., Taclendo, A., Oyong, G. G., Rempillo, O., Galvez, M. C., & Vallar, E. A. (2022) · International Journal of Environmental Research and Public Health · doi:10.3390/ijerph19148588 · Cited by 14

Screening and Identification of Anti-Acetylcholinesterase Ingredients from Tianzhi Granule Based on Ultrafiltration Combined with Ultra-Performance Liquid Chromatography-Mass Spectrometry and in Silico Analysis

Zhao, N., Liu, D., Wang, Y., Zhang, X., & Zhang, L. (2022) · Journal of Ethnopharmacology · doi:10.1016/j.jep.2022.115641 · Cited by 14

Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods

Sauer, S., Matter, H., Heßler, G., & Grebner, C. (2022) · Frontiers in Chemistry · doi:10.3389/fchem.2022.1012507 · Cited by 14

Identification of potential candidate vaccines against Mycobacterium ulcerans based on the major facilitator superfamily transporter protein

Ishwarlall, T. Z., Adeleke, V. T., Maharaj, L., Okpeku, M., Adeniyi, A. A., & Adeleke, M. A. (2022) · Frontiers in Immunology · doi:10.3389/fimmu.2022.1023558 · Cited by 14

RNAME: A comprehensive database of RNA modification enzymes

Nie, F., Tang, Q., Liu, Y., Qin, H., Liu, S., Wu, M. Y., Feng, P., & Chen, W. (2022) · Computational and Structural Biotechnology Journal · doi:10.1016/j.csbj.2022.11.022 · Cited by 14

A coarse-grained molecular dynamics investigation of the role of mineral arrangement on the mechanical properties of mineralized collagen fibrils

Tavakol, M., & Vaughan, T. J. (2023) · Journal of The Royal Society Interface · doi:10.1098/rsif.2022.0803 · Cited by 14

RNA independent fragment partition method based on deep learning for RNA secondary structure prediction

Zhao, Q., Mao, Q., Zhao, Z., Yuan, W., He, Q., Sun, Q., Yao, Y., & Fan, X. (2023) · Scientific Reports · doi:10.1038/s41598-023-30124-x · Cited by 14

Elucidating the Effects of Curcumin against Influenza Using In Silico and In Vitro Approaches

Kim, M., Choi, H., Kim, S., Kang, L., & Kim, Y. B. (2021) · Pharmaceuticals · doi:10.3390/ph14090880 · Cited by 14

PU.1 mimic synthetic peptides selectively bind with GATA-1 and allow c-jun PU.1 binding to enhance myelopoiesis

Raghav, P. K., & Gangenahalli, G. (2021) · International Journal of Nanomedicine · doi:10.2147/ijn.s303235 · Cited by 13

Comprehensive Analysis of Potential Prognostic Values of ANGPTLs in Colorectal Cancer

Zhang, Y., Yang, X., Liu, S., Zhuang, Z., Wei, M., Deng, X., & Wang, Z. (2022) · Genes · doi:10.3390/genes13122215 · Cited by 13

Revealment study on the regulation of lipid metabolism by Lingguizhugan Decoction in heart failure treatment based on integrated lipidomics and proteomics

Wang, X., Gao, Y., Zhang, J., Zhang, H., Sun, S., Su, S., Kong, D., & Wang, Q. (2022) · Biomedicine & Pharmacotherapy · doi:10.1016/j.biopha.2022.114066 · Cited by 13

Systems biology and in silico-based analysis of PCOS revealed the risk of metabolic disorders

Hossain, M. A., Ashik, S. A. A., Mahin, M. R., Amin, M. A., Rahman, M. H., Khan, M. A., & Emran, A. A. (2022) · Heliyon · doi:10.1016/j.heliyon.2022.e12480 · Cited by 13

Benchmarking applicability of medium‐resolution cryo‐EM protein structures for structure‐based drug design

Lee, S., Seok, C., & Park, H. (2023) · Journal of Computational Chemistry · doi:10.1002/jcc.27091 · Cited by 13

Expanding potential targets of herbal chemicals by node2vec based on herb–drug interactions

Zhang, D., Cui, W.-Q., Hou, L., Yang, J., Lyu, L., Wang, Z.-Y., Linghu, K., He, W., Yu, H., & Yuanjia, H. (2023) · Chinese Medicine · doi:10.1186/s13020-023-00763-3 · Cited by 13

A simple tandem bioassay-guided SCX-RP SPE fractionation for efficient active peptide screening from Inca nut cake protein hydrolysate

Sutopo, C. C. Y., Hung, W., & Hsu, J. (2024) · Journal of Chromatography B · doi:10.1016/j.jchromb.2024.124061 · Cited by 13

Network pharmacology and experimental evidence: ERK/CREB/BDNF signaling pathway is involved in the antidepressive roles of Kaiyu Zhishen decoction

Chen, Y., Chen, X., Zhang, J., Zhang, X., Wang, D., Lu, N., Wang, C., Yue, Y., & Yuan, Y. (2024) · Journal of Ethnopharmacology · doi:10.1016/j.jep.2024.118098 · Cited by 13

Identification of Prospective Ebola Virus VP35 and VP40 Protein Inhibitors from Myxobacterial Natural Products

Hayat, M., Gao, T., Cao, Y., Rafiq, M., Li, Z., & Li, Y. (2024) · Biomolecules · doi:10.3390/biom14060660 · Cited by 13

Network pharmacology, molecular docking, and untargeted metabolomics reveal molecular mechanisms of multi-targets effects of Qingfei Tongluo Plaster improving respiratory syncytial virus pneumonia

Yang, M., Zhang, X., Liu, Q., & Wang, Y. (2024) · Chinese Herbal Medicines · doi:10.1016/j.chmed.2024.07.007 · Cited by 13

Can Deep Learning Blind Docking Methods be Used to Predict Allosteric Compounds?

Chen, E. A., & Zhang, Y. (2025) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5c00331 · Cited by 14

New tale on LianHuaQingWen: IL6R/IL6/IL6ST complex is a potential target for COVID-19 treatment

Tianyu, Z., Cui, X., Yaru, W., Zhang, M., Fengli, Y., He, K., Li, C., & Li, J. (2021) · Aging · doi:10.18632/aging.203666 · Cited by 13

Effect of gigantol on the proliferation of hepatocellular carcinoma cells tested by a network-based pharmacological approach and experiments

Li, S., Li, H., Yin, D., Xue, X.-J., Chen, X., Li, X., Li, J., & Yi, Y. (2022) · Frontiers in Bioscience-Landmark · doi:10.31083/j.fbl2701025 · Cited by 13

FAIR research data management as community approach in bioengineering

Rehnert, M., & Takors, R. (2022) · Engineering in Life Sciences · doi:10.1002/elsc.202200005 · Cited by 13

Design and synthesis of some new benzoylthioureido benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors

Oudaha, K. H., Mahmoud, W. R., Awadallah, F. M., Taher, A. T., Abbas, S. E.-S., Allam, H. A., Vullo, D., & Supuran, C. T. (2022) · Journal of Enzyme Inhibition and Medicinal Chemistry · doi:10.1080/14756366.2022.2132485 · Cited by 13

Exploring Dysregulated Ferroptosis-Related Genes in Septic Myocardial Injury Based on Human Heart Transcriptomes: Evidence and New Insights

Zou, H.-X., Hu, T., Zhao, J.-Y., Qiu, B., Zou, C.-C., Xu, Q., Liu, J., Lai, S., & Huang, H. (2023) · Journal of Inflammation Research · doi:10.2147/jir.s400107 · Cited by 13

PTMdyna: exploring the influence of post-translation modifications on protein conformational dynamics

Shi, X.-X., Wang, Z.-Z., Wang, Y., Huang, G.-Y., Yang, J., Wang, F., Hao, G., & Yang, G. (2021) · Briefings in Bioinformatics · doi:10.1093/bib/bbab424 · Cited by 14

Autoxidation Products of the Methanolic Extract of the Leaves of Combretum micranthum Exert Antiviral Activity against Tomato Brown Rugose Fruit Virus (ToBRFV)

Iobbi, V., Lanteri, A. P., Minuto, A., Santoro, V., Ferrea, G., Fossa, P., & Bisio, A. (2022) · Molecules · doi:10.3390/molecules27030760 · Cited by 13

Target‐template relationships in protein structure prediction and their effect on the accuracy of thermostability calculations

(2022) · doi:10.1002/pro.4557 · Cited by 12

Bridging prediction and reality: Comprehensive analysis of experimental and AlphaFold 2 full-length nuclear receptor structures

Mazhibiyeva, A., Pham, T. T., Pats, K., Lukac, M., & Molnár, F. (2025) · Computational and Structural Biotechnology Journal · doi:10.1016/j.csbj.2025.05.010 · Cited by 13

Improved Structure-Based Histidine pKa Prediction for pH-Responsive Protein Design

Hogues, H., Wei, W., & Sulea, T. I. (2025) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.4c01957 · Cited by 12

PDBeCIF: an open-source mmCIF/CIF parsing and processing package

van Ginkel, G., Pravda, L., Dana, J. M., Váradi, M., Keller, P., Anyango, S., & Velankar, S. S. (2021) · BMC Bioinformatics · doi:10.1186/s12859-021-04271-9 · Cited by 12

Cryo‐EM targets in CASP14

Cragnolini, T., Kryshtafovych, A., & Topf, M. (2021) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.26216 · Cited by 10

TALE-cmap: Protein function prediction based on a TALE-based architecture and the structure information from contact map

Qiu, X.-Y., Wu, H., & Shao, J. (2022) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2022.105938 · Cited by 12

Development of AMOEBA Polarizable Force Field for Rare-Earth La3+ Interaction with Bioinspired Ligands

Wait, E. E., Gourary, J., Liu, C., Spoerke, E. D., Rempe, S. B., & Ren, P. Y. (2023) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.2c07237 · Cited by 12

Liposome Formulations for the Strategic Delivery of PARP1 Inhibitors: Development and Optimization

Conceição, C. J. F., Moe, E., Ribeiro, P. A., & Raposo, M. (2023) · Nanomaterials · doi:10.3390/nano13101613 · Cited by 12

Discovery of novel diarypyrimidine derivatives bearing six-membered non-aromatic heterocycles as potent HIV-1 NNRTIs with improved anti-resistance and drug-like profiles

Jiang, X., Huang, B., Zalloum, W. A., Chen, C., Ji, X., Gao, Z., Dai, J., Xie, M., Kang, D., Clercq, E. D., et al. (2023) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2023.115605 · Cited by 12

Drug metabolism-related gene ABCA1 augments temozolomide chemoresistance and immune infiltration abundance of M2 macrophages in glioma

Yan, Y., Liu, Y., Liang, Q., & Xu, Z. (2023) · European journal of medical research · doi:10.1186/s40001-023-01370-6 · Cited by 12

Target prediction and potential application of dihydroartemisinin on hepatocarcinoma treatment

Guo, W., Liu, Y., Chen, B., & Fan, L. (2024) · Naunyn-Schmiedeberg s Archives of Pharmacology · doi:10.1007/s00210-024-03123-6 · Cited by 12

Delineating organizational principles of the endogenous L-A virus by cryo-EM and computational analysis of native cell extracts

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