most citedSampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

25 citations · 25 across the 1 of their papers we have counts for

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1 paper

q-bio.QM2016★ 25 cited

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

G Moroy, O Sperandio, S Rielland +5

Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual scr…