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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Docking Paradigm in Drug Design

Vladimir B Sulimov1, Danil C Kutov1, Anna S Taschilova1

  • 1Research Computer Center of Lomonosov Moscow State University, Moscow, Russian Federation.

Current Topics in Medicinal Chemistry
|December 9, 2020
PubMed

Keywords:
CADDCOVID-19DockingGlobal optimizationInhibitorsMproQuantum dockingSARS-CoV-2

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