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Consistent Improvement of Cross-Docking Results Using Binding Site Ensembles Generated with Elastic Network Normal Modes
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Virtual Screening Strategies: A State of Art to Combat with Multiple Drug Resistance Strains
inferred← citeshttps://doi.org/10.2174/0929867311320180002openalex-snapshot
Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field
inferred← citeshttps://doi.org/10.2174/156802610790232314openalex-snapshot
Template-Based Protein Modeling: Recent Methodological Advances
inferred← citeshttps://doi.org/10.2174/156802611794863544openalex-snapshot
Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?
inferred← citeshttps://doi.org/10.2174/156802612804547335openalex-snapshot
Compound Activity Prediction Using Models of Binding Pockets or Ligand Properties in 3D
inferred← citeshttps://doi.org/10.2174/1568026614666140929153812openalex-snapshot
Recent Advances in Computer-Aided Drug Design as Applied to Anti-Influenza Drug Discovery
inferred← citeshttps://doi.org/10.2174/157340909789577856openalex-snapshot
Modeling Reality for Optimal Docking of Small Molecules to Biological Targets
inferred← citeshttps://doi.org/10.2174/978160805142711101010099openalex-snapshot
Receptor Flexibility in Ligand Docking and Virtual Screening
inferred← citeshttps://doi.org/10.32657/10220/48075openalex-snapshot
Progesterone receptor ligand binding domain : from conformational dynamics to drug discovery
inferred← citeshttps://doi.org/10.33084/jmd.v2i1.3270openalex-snapshot
Comparative In-Silico Molecular Docking of Silymarin for SARS-CoV-2 Receptor
inferred← citeshttps://doi.org/10.3390/chemistry4030067openalex-snapshot
Natural Products as Mcl-1 Inhibitors: A Comparative Study of Experimental and Computational Modelling Data
inferred← citeshttps://doi.org/10.3390/ijms11103623openalex-snapshot
SwarmDock and the Use of Normal Modes in Protein-Protein Docking
inferred← citeshttps://doi.org/10.3390/ijms27073302openalex-snapshot
Open-Source Molecular Docking and AI-Augmented Structure-Based Drug Design: Current Workflows, Challenges, and Opportunities
inferred← citeshttps://doi.org/10.3390/vaccines10010024openalex-snapshot
Multi-Targeted Approaches and Drug Repurposing Reveal Possible SARS-CoV-2 Inhibitors
inferred← citeshttps://doi.org/10.34626/0hnm-hn65openalex-snapshot
New Computational Methods to Calculate Drug-Receptor Binding Free Energies
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch001openalex-snapshot
Molecular Docking at a Glance
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch030openalex-snapshot
Molecular Docking at a Glance
inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot
Recent Trends and Observations in the Design of High-Quality Screening Collections
inferred← citeshttps://doi.org/10.4155/fmc.14.113openalex-snapshot
Docking to Multiple Pockets or Ligand Fields for Screening, Activity Prediction and Scaffold Hopping
inferred← citeshttps://doi.org/10.4155/fmc.15.150openalex-snapshot
Sampling of Conformational Ensemble for Virtual Screening Using Molecular Dynamics Simulations and Normal Mode Analysis
inferred← citeshttps://doi.org/10.6092/unibo/amsdottorato/6330openalex-snapshot
Computational strategies to include protein flexibility in Ligand Docking and Virtual Screening
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