most citedCoupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: Performance in pose prediction in the D3R-GC4

15 citations · 15 across the 1 of their papers we have counts for

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1 paper

q-bio.BM2020★ 15 cited

Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: Performance in pose prediction in the D3R-GC4

Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci +2

We report the performance of our newly introduced Ensemble Docking with Enhanced sampling of pocket Shape (EDES) protocol coupled to a template-based algorithm to generate near-nat…