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Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations.Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small MoleculeAtomic-Level Description of Protein Folding inside the GroEL CavityFragment Hits: What do They Look Like and How do They Bind?The u-series: A separable decomposition for electrostatics computation with improved accuracyDevelopment of a Force Field for the Simulation of Single-Chain Proteins and Protein-Protein Complexes
P50
description
researcher
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wetenschapper
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name
David E Shaw
@en
David E Shaw
@nl
type
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David E Shaw
@en
David E Shaw
@nl
prefLabel
David E Shaw
@en
David E Shaw
@nl
P31
P496
0000-0001-8265-5761