Virtual Screening Publications

Publications in Virtual Screening

Explore the most influential research papers and scholarly works that have shaped Virtual Screening. Use the concept filter below to focus on a specific sub-area of research.

Virtual Screening

2.6K

Publications

152.2K

Citations

Showing yearly statistics from 2000-2026.

Page 1

	Year	Citations
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day, Journal of Computer-Aided Molecular Design Virtual ScreeningHit IdentificationDrug TargetBiochemistryVirtual Screening Enrichments	2013	5.8K
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening John J. Irwin, Brian K. Shoichet Journal of Chemical Information and Modeling EngineeringHit IdentificationMolecular BiologyCommercially Available CompoundsMolecular Design	2004	4K
Computational protein–ligand docking and virtual drug screening with the AutoDock suite Stefano Forli, Ruth Huey, Michael E. Pique, Nature Protocols Virtual DrugVirtual ScreeningEngineeringDrug TargetMedicine	2016	2.6K
Identifying and Characterizing Binding Sites and Assessing Druggability Thomas A. Halgren Journal of Chemical Information and Modeling Drug TargetEngineeringHit IdentificationDrug ClassKnown Binding Site	2009	1.7K
A Critical Assessment of Docking Programs and Scoring Functions Gregory L. Warren, C. Webster Andrews, Anna‐Maria Capelli, Journal of Medicinal Chemistry EngineeringMolecular BiologyScoring FunctionsProgram EvaluationProtein Folding	2005	1.7K
Virtual Computational Chemistry Laboratory – Design and Description Igor V. Tetko, Johann Gasteiger, Roberto Todeschini, Journal of Computer-Aided Molecular Design Virtual ScreeningEngineeringVirtual EngineeringSimulationComputational Chemistry	2005	1.5K
Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery Santiago Vilar, Giorgio Cozza, Stefano Moro Current Topics in Medicinal Chemistry Molecular Operating EnvironmentDrug TargetPharmaceutical ChemistryMedicinal ChemistryDrug Design	2008	1.2K
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening Susan L. McGovern, Emilia Caselli, Nikolaus Grigorieff, Journal of Medicinal Chemistry Medicinal ChemistryVirtual ScreeningBioorganic ChemistryDrug TargetBiochemistry	2002	1K
Comparison of Shape-Matching and Docking as Virtual Screening Tools Paul C. D. Hawkins, A. Geoffrey Skillman, Anthony Nicholls Journal of Medicinal Chemistry Hit IdentificationMolecular BiologyShape AnalysisComputer-aided DesignLigand Docking	2006	994
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Nucleic Acids Research Drug TargetEngineeringHit IdentificationPharmmapper ServerTarget Identification	2010	905
Quantitative high-throughput screening: A titration-based approach that efficiently identifies biological activities in large chemical libraries James Inglese, Douglas S. Auld, Ajit Jadhav, Proceedings of the National Academy of Sciences Drug TargetHit IdentificationConcentration-response CurvesMolecular BiologyChemical Biology	2006	806
TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico Calvin Yu‐Chian Chen PLoS ONE Hit IdentificationTcm ClassificationDrug ScreeningTcm DatabaseChemistry	2011	800

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