Research graph
References from Applications of structural biology in drug discovery. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
External reference
Winning the arms race by improving drug discovery against mutating targets
10.1021/cb200394t · 2012 · External reference
The process of structure-based drug design
10.1016/j.chembiol.2003.09.002 · 2003 · External reference
Structure-guided drug discovery: back to the future
10.1038/s41594-024-01244-3 · 2024 · External reference
Unresolved reference
2021 · External reference
Hit me with your best shot: Integrated hit discovery for the next generation of drug targets
10.1016/j.drudis.2024.104143 · 2024 · External reference
Protein structure prediction and structural genomics
10.1126/science.1065659 · 2001 · External reference
Structural biology in antiviral drug discovery
10.1016/j.coph.2016.08.014 · 2016 · External reference
A structure-based drug discovery paradigm
10.3390/ijms20112783 · 2019 · External reference
Strategies and challenges for the next generation of antibody–drug conjugates
10.1038/nrd.2016.268 · 2017 · External reference
Research in the field of drug design and development
10.3390/ph16091283 · 2023 · External reference
The current role and evolution of X-ray crystallography in drug discovery and development
10.1080/17460441.2023.2246881 · 2023 · External reference
Molecular mechanisms of antibiotic resistance
10.1038/nrmicro3380 · 2015 · External reference
Chemical screening by time-resolved X-ray scattering to discover allosteric probes
10.1038/s41589-024-01609-1 · 2024 · External reference
Evolving SAXS versatility: solution X-ray scattering for macromolecular architecture, functional landscapes, and integrative structural biology
10.1016/j.sbi.2019.04.004 · 2019 · External reference
Next generation antibody drugs: pursuit of the 'high-hanging fruit'
10.1038/nrd.2017.227 · 2018 · External reference
Regulation of protein-ligand binding affinity by hydrogen bond pairing
10.1126/sciadv.1501240 · 2016 · External reference
Molecular interactions in biological systems: technological applications and innovations
10.5376/cmb.2024.14.0021 · 2024 · External reference
The design and development of covalent protein-protein interaction inhibitors for cancer treatment
2020 · External reference
Kinase drug discovery 20 years after imatinib: progress and future directions
10.1038/s41573-021-00195-4 · 2021 · External reference
Comprehensive detection and characterization of human druggable pockets through binding site descriptors
10.1038/s41467-024-52146-3 · 2024 · External reference
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
10.1126/science.abb4489 · 2020 · External reference
Contribution of hydrophobic interactions to protein mechanical stability
10.1016/j.csbj.2022.04.025 · 2022 · External reference
ADMET modeling approaches in drug discovery
10.1016/j.drudis.2019.03.015 · 2019 · External reference
A systematic analysis of atomic protein-ligand interactions in the PDB
10.1039/c7md00381a · 2017 · External reference
Protein structure prediction with energy minimization and deep learning approaches
10.1007/s11047-023-09943-4 · 2023 · External reference
Bivalent mTOR inhibitors — the next generation
10.1038/nrd.2016.134 · 2016 · External reference
A computational study of cation-π interactions vs salt bridges in aqueous media: implications for protein engineering
10.1021/ja991755c · 2000 · External reference
Deep learning in drug discovery
10.1002/minf.201501008 · 2016 · External reference
Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: a structural review
10.1016/j.molliq.2022.118901 · 2022 · External reference
Homology modeling in the time of collective and artificial intelligence
10.1016/j.csbj.2020.11.007 · 2020 · External reference
ρ-σ-π Analysis. a method for the correlation of biological activity and chemical structure
10.1021/ja01062a035 · 1964 · External reference
Structure-based methods for predicting target mutation-induced drug resistance and rational drug design to overcome the problem
10.1016/j.drudis.2012.06.018 · 2012 · External reference
Cross-Talk of Cation−π interactions with electrostatic and aromatic interactions: a salt-dependent trade-off in biomolecular condensates
10.1021/acs.jpclett.3c01642 · 2023 · External reference
Chemprop: a machine learning package for chemical property prediction
10.1021/acs.jcim.3c01250 · 2024 · External reference
ADMET—turning chemicals into drugs
10.1038/90761 · 2001 · External reference
Molecular recognition: lock-and-key, induced fit, and conformational selection
2013 · External reference
A hierarchical approach to all-atom protein loop prediction
10.1002/prot.10613 · 2004 · External reference
A hierarchical approach to all-atom protein loop prediction
10.1002/prot.10613 · 2004 · External reference
Highly accurate protein structure prediction with AlphaFold
10.1038/s41586-021-03819-2 · 2021 · External reference
Structure-based drug design to augment hit discovery
10.1016/j.drudis.2011.07.006 · 2011 · External reference
Molecular dynamics simulations for the protein–ligand complex structures obtained by computational docking studies using implicit or explicit solvents
10.1016/j.cplett.2021.139022 · 2021 · External reference
The Phyre2 web portal for protein modeling, prediction and analysis
10.1038/nprot.2015.053 · 2015 · External reference
Fragment-based drug discovery: small fragments, big impact − success stories of approved oncology therapeutics
10.1016/j.bioorg.2025.108197 · 2025 · External reference
Template-based protein structure modeling using the RaptorX web server
10.1038/nprot.2012.085 · 2012 · External reference
Virtual screening strategies in drug discovery: a critical review
10.2174/09298673113209990001 · 2013 · External reference
Applications of Cryo-EM in small molecule and biologics drug design
10.1042/bst20210444 · 2021 · External reference
Macromolecular modeling and design in Rosetta: recent methods and frameworks
10.1038/s41592-020-0848-2 · 2020 · External reference
An updated review on developing small molecule kinase inhibitors using computer-aided drug design approaches
10.3390/ijms241813953 · 2023 · External reference
A structure-based allosteric modulator design paradigm
10.34133/hds.0094 · 2023 · External reference
Advances in structure-based allosteric drug design
10.1016/j.sbi.2024.102974 · 2025 · External reference
Computational approaches to druggable site identification: current status and future perspective
10.1016/j.apsb.2025.10.032 · 2026 · External reference
Can molecular dynamics be used to simulate biomolecular recognition?
10.1063/5.0146899 · 2023 · External reference
Structural biology techniques in drug discovery: from crystal structures to therapeutic applications
2024 · External reference
Improving quantitative structure-activity relationship models using artificial neural networks trained with dropout
10.1007/s10822-016-9895-2 · 2016 · External reference
Antiviral agents: structural basis of action and rational design
10.1007/978-3-031-65187-8_20 · 2024 · External reference
A review on description dynamics and conformational changes of proteins using combination of principal component analysis and molecular dynamics simulation
10.1016/j.compbiomed.2024.109245 · 2024 · External reference
Improving fragment-based ab initio protein structure assembly using low-accuracy contact-map predictions
10.1038/s41467-021-25316-w · 2021 · External reference
Mechanisms of antibiotic resistance
2016 · External reference
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization
10.1038/s41467-025-66324-4 · 2025 · External reference
The development of cryo-EM into a mainstream structural biology technique
10.1038/nmeth.3694 · 2016 · External reference
mRNA vaccines — a new era in vaccinology
10.1038/nrd.2017.243 · 2018 · External reference
PyTorch: an imperative style, high-performance deep learning library
2019 · External reference
Fast and accurate Ab initio protein structure prediction using deep learning potentials
10.1371/journal.pcbi.1010539 · 2022 · External reference
Rescoring and linearly combining: a highly effective consensus strategy for virtual screening campaigns
10.3390/ijms20092060 · 2019 · External reference
High-throughput and in silico screenings in drug discovery
10.1517/17460440903190961 · 2009 · External reference
Virus structure and structure-based antivirals
10.1016/j.coviro.2021.09.005 · 2021 · External reference
Assessing protein homology models with docking reproducibility
10.1016/j.jmgm.2023.108430 · 2023 · External reference
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions
10.1038/s41467-025-63587-9 · 2025 · External reference
Molecular mechanism of drug resistance
2017 · External reference
Understanding the structural mechanisms of antibiotic resistance sets the platform for new discovery
10.2217/fmb.15.78 · 2015 · External reference
Cryo-EM in drug discovery: achievements, limitations and prospects
10.1038/nrd.2018.77 · 2018 · External reference
Properties of FDA-approved small molecule protein kinase inhibitors: a 2026 update
10.1016/j.phrs.2026.108107 · 2026 · External reference
Computational approaches streamlining drug discovery
2023 · External reference
Modelling three-dimensional protein structures for applications in drug design
10.1016/j.drudis.2013.10.027 · 2014 · External reference
SWISS-MODEL: an automated protein homology-modeling server
10.1093/nar/gkg520 · 2003 · External reference
Protein–ligand interactions: recent advances in biophysics, biochemistry, and bioinformatics
10.3390/ijms26199576 · 2025 · External reference
Generating focused molecule libraries for drug discovery with recurrent neural networks
10.1021/acscentsci.7b00512 · 2018 · External reference
The role of tryptophan in π interactions in proteins: an experimental approach
10.1021/jacs.2c04986 · 2022 · External reference
Binding affinity determination in drug design: insights from lock and key, induced fit, conformational selection, and inhibitor trapping models
10.3390/ijms25137124 · 2024 · External reference
Current NMR techniques for structure-based drug discovery
10.3390/molecules23010148 · 2018 · External reference
Tetraspanins: structure, dynamics, and principles of partner-protein recognition
10.1016/j.tcb.2023.09.003 · 2024 · External reference
In silico comparative study of the anti-cancer potential of inhibitors of glucose-6-phosphate dehydrogenase enzyme using ADMET analysis, molecular docking, and molecular dynamic simulation
10.1002/adts.202400757 · 2025 · External reference
Conformational ensembles of the human intrinsically disordered proteome
10.1038/s41586-023-07004-5 · 2024 · External reference
MDverse, shedding light on the dark matter of molecular dynamics simulations
10.7554/elife.90061.3 · 2024 · External reference
Computational modeling of protein–ligand interactions: from binding site identification to pose prediction and beyond
10.1016/j.sbi.2025.103152 · 2025 · External reference
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR
10.1038/s41573-023-00832-0 · 2024 · External reference
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · 2010 · External reference
Progress in small-angle scattering from biological solutions at high-brilliance synchrotrons
10.1107/s2052252517008740 · 2017 · External reference
Cryptic binding sites on proteins: definition, detection, and druggability
10.1016/j.cbpa.2018.05.003 · 2018 · External reference
Applications of machine learning in drug discovery and development
10.1038/s41573-019-0024-5 · 2019 · External reference
AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models
10.1093/nar/gkab1061 · 2022 · External reference
Cryo-electron microscopy and X-ray crystallography: complementary approaches to structural biology and drug discoveryThis paper is an extension of Boutin et al. [(2016), Med. Sci. (Paris), 32, 758-767]
2017 · External reference
Computational approach for protein structure prediction
10.4258/hir.2013.19.2.137 · 2013 · External reference
Structure-based drug design: progress, results and challenges
10.1016/s0969-2126(00)00060-5 · 1994 · External reference
SWISS-MODEL: homology modelling of protein structures and complexes
10.1093/nar/gky427 · 2018 · External reference
Protein structure modeling with MODELLER
10.1007/978-1-4939-7231-9_4 · 2017 · External reference
Fast NMR-based determination of the 3D structure of the binding site of protein–ligand complexes with weak affinity binders
10.1002/anie.201612304 · 2017 · External reference
Uncovering the dominant motion modes of allosteric regulation improves allosteric site prediction
10.1021/acs.jcim.1c01267 · 2022 · External reference
G protein-coupled receptors: structure- and function-based drug discovery
10.1038/s41392-020-00435-w · 2021 · External reference
Protein structure and function prediction using I-TASSER
10.1002/0471250953.bi0508s52 · 2015 · External reference
Drug design: where we are and future prospects
10.3390/molecules26227061 · 2021 · External reference
Targeting cancer with small molecule kinase inhibitors
10.1038/nrc2559 · 2009 · External reference
G protein-coupled receptors (GPCRs): advances in structures, mechanisms and drug discovery
10.1038/s41392-024-01803-6 · 2024 · External reference
Evolving cryo-EM structural approaches for GPCR drug discovery
10.1016/j.str.2021.04.008 · 2021 · External reference
Protein structure and function prediction using I-TASSER
10.1002/0471250953.bi0508s52 · ExternalCitation · doi-reference
In silico comparative study of the anti-cancer potential of inhibitors of glucose-6-phosphate dehydrogenase enzyme using ADMET analysis, molecular docking, and molecular dynamic simulation
10.1002/adts.202400757 · ExternalCitation · doi-reference
Fast NMR-based determination of the 3D structure of the binding site of protein–ligand complexes with weak affinity binders
10.1002/anie.201612304 · ExternalCitation · doi-reference
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · ExternalCitation · doi-reference
Deep learning in drug discovery
10.1002/minf.201501008 · ExternalCitation · doi-reference
A hierarchical approach to all-atom protein loop prediction
10.1002/prot.10613 · ExternalCitation · doi-reference
Protein structure modeling with MODELLER
10.1007/978-1-4939-7231-9_4 · ExternalCitation · doi-reference
Antiviral agents: structural basis of action and rational design
10.1007/978-3-031-65187-8_20 · ExternalCitation · doi-reference
Improving quantitative structure-activity relationship models using artificial neural networks trained with dropout
10.1007/s10822-016-9895-2 · ExternalCitation · doi-reference
Protein structure prediction with energy minimization and deep learning approaches
10.1007/s11047-023-09943-4 · ExternalCitation · doi-reference
Computational approaches to druggable site identification: current status and future perspective
10.1016/j.apsb.2025.10.032 · ExternalCitation · doi-reference
Fragment-based drug discovery: small fragments, big impact − success stories of approved oncology therapeutics
10.1016/j.bioorg.2025.108197 · ExternalCitation · doi-reference
Cryptic binding sites on proteins: definition, detection, and druggability
10.1016/j.cbpa.2018.05.003 · ExternalCitation · doi-reference
The process of structure-based drug design
10.1016/j.chembiol.2003.09.002 · ExternalCitation · doi-reference
A review on description dynamics and conformational changes of proteins using combination of principal component analysis and molecular dynamics simulation
10.1016/j.compbiomed.2024.109245 · ExternalCitation · doi-reference
Structural biology in antiviral drug discovery
10.1016/j.coph.2016.08.014 · ExternalCitation · doi-reference
Virus structure and structure-based antivirals
10.1016/j.coviro.2021.09.005 · ExternalCitation · doi-reference
Molecular dynamics simulations for the protein–ligand complex structures obtained by computational docking studies using implicit or explicit solvents
10.1016/j.cplett.2021.139022 · ExternalCitation · doi-reference
Homology modeling in the time of collective and artificial intelligence
10.1016/j.csbj.2020.11.007 · ExternalCitation · doi-reference
Contribution of hydrophobic interactions to protein mechanical stability
10.1016/j.csbj.2022.04.025 · ExternalCitation · doi-reference
Structure-based drug design to augment hit discovery
10.1016/j.drudis.2011.07.006 · ExternalCitation · doi-reference
Structure-based methods for predicting target mutation-induced drug resistance and rational drug design to overcome the problem
10.1016/j.drudis.2012.06.018 · ExternalCitation · doi-reference
Modelling three-dimensional protein structures for applications in drug design
10.1016/j.drudis.2013.10.027 · ExternalCitation · doi-reference
ADMET modeling approaches in drug discovery
10.1016/j.drudis.2019.03.015 · ExternalCitation · doi-reference
Hit me with your best shot: Integrated hit discovery for the next generation of drug targets
10.1016/j.drudis.2024.104143 · ExternalCitation · doi-reference
Assessing protein homology models with docking reproducibility
10.1016/j.jmgm.2023.108430 · ExternalCitation · doi-reference
Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: a structural review
10.1016/j.molliq.2022.118901 · ExternalCitation · doi-reference
Properties of FDA-approved small molecule protein kinase inhibitors: a 2026 update
10.1016/j.phrs.2026.108107 · ExternalCitation · doi-reference
Evolving SAXS versatility: solution X-ray scattering for macromolecular architecture, functional landscapes, and integrative structural biology
10.1016/j.sbi.2019.04.004 · ExternalCitation · doi-reference
Advances in structure-based allosteric drug design
10.1016/j.sbi.2024.102974 · ExternalCitation · doi-reference
Computational modeling of protein–ligand interactions: from binding site identification to pose prediction and beyond
10.1016/j.sbi.2025.103152 · ExternalCitation · doi-reference
Evolving cryo-EM structural approaches for GPCR drug discovery
10.1016/j.str.2021.04.008 · ExternalCitation · doi-reference
Tetraspanins: structure, dynamics, and principles of partner-protein recognition
10.1016/j.tcb.2023.09.003 · ExternalCitation · doi-reference
Structure-based drug design: progress, results and challenges
10.1016/s0969-2126(00)00060-5 · ExternalCitation · doi-reference
Uncovering the dominant motion modes of allosteric regulation improves allosteric site prediction
10.1021/acs.jcim.1c01267 · ExternalCitation · doi-reference
Chemprop: a machine learning package for chemical property prediction
10.1021/acs.jcim.3c01250 · ExternalCitation · doi-reference
Cross-Talk of Cation−π interactions with electrostatic and aromatic interactions: a salt-dependent trade-off in biomolecular condensates
10.1021/acs.jpclett.3c01642 · ExternalCitation · doi-reference
Generating focused molecule libraries for drug discovery with recurrent neural networks
10.1021/acscentsci.7b00512 · ExternalCitation · doi-reference
Winning the arms race by improving drug discovery against mutating targets
10.1021/cb200394t · ExternalCitation · doi-reference
ρ-σ-π Analysis. a method for the correlation of biological activity and chemical structure
10.1021/ja01062a035 · ExternalCitation · doi-reference
A computational study of cation-π interactions vs salt bridges in aqueous media: implications for protein engineering
10.1021/ja991755c · ExternalCitation · doi-reference
The role of tryptophan in π interactions in proteins: an experimental approach
10.1021/jacs.2c04986 · ExternalCitation · doi-reference
ADMET—turning chemicals into drugs
10.1038/90761 · ExternalCitation · doi-reference
The development of cryo-EM into a mainstream structural biology technique
10.1038/nmeth.3694 · ExternalCitation · doi-reference
Template-based protein structure modeling using the RaptorX web server
10.1038/nprot.2012.085 · ExternalCitation · doi-reference
The Phyre2 web portal for protein modeling, prediction and analysis
10.1038/nprot.2015.053 · ExternalCitation · doi-reference
Targeting cancer with small molecule kinase inhibitors
10.1038/nrc2559 · ExternalCitation · doi-reference
Bivalent mTOR inhibitors — the next generation
10.1038/nrd.2016.134 · ExternalCitation · doi-reference
Strategies and challenges for the next generation of antibody–drug conjugates
10.1038/nrd.2016.268 · ExternalCitation · doi-reference
Next generation antibody drugs: pursuit of the 'high-hanging fruit'
10.1038/nrd.2017.227 · ExternalCitation · doi-reference
mRNA vaccines — a new era in vaccinology
10.1038/nrd.2017.243 · ExternalCitation · doi-reference
Cryo-EM in drug discovery: achievements, limitations and prospects
10.1038/nrd.2018.77 · ExternalCitation · doi-reference
Molecular mechanisms of antibiotic resistance
10.1038/nrmicro3380 · ExternalCitation · doi-reference
G protein-coupled receptors: structure- and function-based drug discovery
10.1038/s41392-020-00435-w · ExternalCitation · doi-reference
G protein-coupled receptors (GPCRs): advances in structures, mechanisms and drug discovery
10.1038/s41392-024-01803-6 · ExternalCitation · doi-reference
Improving fragment-based ab initio protein structure assembly using low-accuracy contact-map predictions
10.1038/s41467-021-25316-w · ExternalCitation · doi-reference
Comprehensive detection and characterization of human druggable pockets through binding site descriptors
10.1038/s41467-024-52146-3 · ExternalCitation · doi-reference
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions
10.1038/s41467-025-63587-9 · ExternalCitation · doi-reference
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization
10.1038/s41467-025-66324-4 · ExternalCitation · doi-reference
Applications of machine learning in drug discovery and development
10.1038/s41573-019-0024-5 · ExternalCitation · doi-reference
Kinase drug discovery 20 years after imatinib: progress and future directions
10.1038/s41573-021-00195-4 · ExternalCitation · doi-reference
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR
10.1038/s41573-023-00832-0 · ExternalCitation · doi-reference
Highly accurate protein structure prediction with AlphaFold
10.1038/s41586-021-03819-2 · ExternalCitation · doi-reference
Conformational ensembles of the human intrinsically disordered proteome
10.1038/s41586-023-07004-5 · ExternalCitation · doi-reference
Chemical screening by time-resolved X-ray scattering to discover allosteric probes
10.1038/s41589-024-01609-1 · ExternalCitation · doi-reference
Macromolecular modeling and design in Rosetta: recent methods and frameworks
10.1038/s41592-020-0848-2 · ExternalCitation · doi-reference
Structure-guided drug discovery: back to the future
10.1038/s41594-024-01244-3 · ExternalCitation · doi-reference
A systematic analysis of atomic protein-ligand interactions in the PDB
10.1039/c7md00381a · ExternalCitation · doi-reference
Applications of Cryo-EM in small molecule and biologics drug design
10.1042/bst20210444 · ExternalCitation · doi-reference
Can molecular dynamics be used to simulate biomolecular recognition?
10.1063/5.0146899 · ExternalCitation · doi-reference
The current role and evolution of X-ray crystallography in drug discovery and development
10.1080/17460441.2023.2246881 · ExternalCitation · doi-reference
AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models
10.1093/nar/gkab1061 · ExternalCitation · doi-reference
SWISS-MODEL: an automated protein homology-modeling server
10.1093/nar/gkg520 · ExternalCitation · doi-reference
SWISS-MODEL: homology modelling of protein structures and complexes
10.1093/nar/gky427 · ExternalCitation · doi-reference
Progress in small-angle scattering from biological solutions at high-brilliance synchrotrons
10.1107/s2052252517008740 · ExternalCitation · doi-reference
Regulation of protein-ligand binding affinity by hydrogen bond pairing
10.1126/sciadv.1501240 · ExternalCitation · doi-reference
Protein structure prediction and structural genomics
10.1126/science.1065659 · ExternalCitation · doi-reference
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
10.1126/science.abb4489 · ExternalCitation · doi-reference
Fast and accurate Ab initio protein structure prediction using deep learning potentials
10.1371/journal.pcbi.1010539 · ExternalCitation · doi-reference
High-throughput and in silico screenings in drug discovery
10.1517/17460440903190961 · ExternalCitation · doi-reference
Virtual screening strategies in drug discovery: a critical review
10.2174/09298673113209990001 · ExternalCitation · doi-reference
Understanding the structural mechanisms of antibiotic resistance sets the platform for new discovery
10.2217/fmb.15.78 · ExternalCitation · doi-reference
Rescoring and linearly combining: a highly effective consensus strategy for virtual screening campaigns
10.3390/ijms20092060 · ExternalCitation · doi-reference
A structure-based drug discovery paradigm
10.3390/ijms20112783 · ExternalCitation · doi-reference
An updated review on developing small molecule kinase inhibitors using computer-aided drug design approaches
10.3390/ijms241813953 · ExternalCitation · doi-reference
Binding affinity determination in drug design: insights from lock and key, induced fit, conformational selection, and inhibitor trapping models
10.3390/ijms25137124 · ExternalCitation · doi-reference
Protein–ligand interactions: recent advances in biophysics, biochemistry, and bioinformatics
10.3390/ijms26199576 · ExternalCitation · doi-reference
Current NMR techniques for structure-based drug discovery
10.3390/molecules23010148 · ExternalCitation · doi-reference
Drug design: where we are and future prospects
10.3390/molecules26227061 · ExternalCitation · doi-reference
Research in the field of drug design and development
10.3390/ph16091283 · ExternalCitation · doi-reference
A structure-based allosteric modulator design paradigm
10.34133/hds.0094 · ExternalCitation · doi-reference
Computational approach for protein structure prediction
10.4258/hir.2013.19.2.137 · ExternalCitation · doi-reference
Molecular interactions in biological systems: technological applications and innovations
10.5376/cmb.2024.14.0021 · ExternalCitation · doi-reference
MDverse, shedding light on the dark matter of molecular dynamics simulations
10.7554/elife.90061.3 · ExternalCitation · doi-reference
