activity
20132021
most citedOn the application of Good-Turing statistics to quantify convergence of biomolecular simulations

25 citations · 45 across the 3 of their papers we have counts for

collaborators
Showing 2020Show all

1 paper · 1 filter

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…