RSC Advances · 2020 · 61 citations · 38 references
Life SciencesInfectious DiseasesPharmacologyDrug DiscoveryMolecular VirologyVirologyAntiviral PharmacologyAntiviral TherapyLigand BindingMolecular DockingRna Polymerase StructureViral StructureAntiviral Drug DesignAntiviral Structure-activity RelationshipsClassical Molecular DynamicsEnsemble DockingEnsemble-based DockingRna-dependent Rna Polymerase FunctionStructural VirologyViral Protein Conformation
Conformational changes in the remdesivir-bound RdRP leading to its inhibition.
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Development and testing of a general amber force field
Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations
A density-based algorithm for discovering clusters in large spatial Databases with Noise
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A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
David E. Gordon, Gwendolyn Μ. Jang, Mehdi Bouhaddou et al. · Nature · 2020 · 4.9K citations · Full text