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Publications by Vladimir Chupin
Docking Rigid Macrocycles Using Convex-Pl, AutoDock Vina, and RDKit in the D3R Grand Challenge 4
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Related publications
Docking of Small Molecules to Farnesoid X Receptors Using AutoDock Vina With the Convex-Pl Potential: Lessons Learned From D3R Grand Challenge 2
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4
Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening
PLoS ONE
Multidisciplinary
Evolution Predicting the Efficacy of Akt Inhibitors Using AutoDock Vina Software
Journal of Garmian University
VSDK: Virtual Screening of Small Molecules Using AutoDock Vina on Windows Platform
Bioinformation
Blinded Predictions of Binding Modes and Energies of HSP90-α Ligands for the 2015 D3R Grand Challenge
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Parameter Optimization and Virtual Screening Indonesian Herbal Database as Human Immunodeficiency Virus -1 Integrase Inhibitor Using Autodock and Vina
International Journal of Applied Pharmaceutics
Pharmaceutical Science
Computational Protein–ligand Docking and Virtual Drug Screening With the AutoDock Suite
Nature Protocols
Biochemistry
Genetics
Molecular Biology
