about
Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.NOLB: Nonlinear Rigid Block Normal-Mode Analysis Method.Mechanism of transmembrane signaling by sensor histidine kinases.Small angle X-ray scattering-assisted protein structure prediction in CASP13 and emergence of solution structure differencesDocking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4Controlled-advancement rigid-body optimization of nanosystemsCombining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution
P50
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P50
description
researcher
@en
wetenschapper
@nl
name
Sergei Grudinin
@en
Sergei Grudinin
@nl
type
label
Sergei Grudinin
@en
Sergei Grudinin
@nl
prefLabel
Sergei Grudinin
@en
Sergei Grudinin
@nl
P2456
P31
P496
0000-0002-1903-7220