about
HTMD: High-Throughput Molecular Dynamics for Molecular Discovery.DeepSite: Protein binding site predictor using 3D-convolutional neural networks.On-the-Fly Learning and Sampling of Ligand Binding by High-Throughput Molecular Simulations.Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling.High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.Kinetic characterization of fragment binding in AmpC β-lactamase by high-throughput molecular simulationsA Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning
P50
Q35947594-F7B06915-338B-44D2-AF9F-11CABADAD6C4Q38748498-EC242B55-E762-468B-B747-A2F943B3BF32Q40308189-7184F9DB-FB20-4659-A459-49A937BBF3D9Q47677852-94543109-6317-4772-B56C-073E4AE5AFBBQ48057440-F00B500D-46DA-4E67-ADAA-202378D25CDBQ87130507-855A18FD-FEF3-48B9-9AD6-522276D065E1Q92020205-80014475-A29C-46A3-8FFA-126D287FDFC3
P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
S Doerr
@ast
S Doerr
@en
S Doerr
@es
S Doerr
@nl
S Doerr
@sl
type
label
S Doerr
@ast
S Doerr
@en
S Doerr
@es
S Doerr
@nl
S Doerr
@sl
prefLabel
S Doerr
@ast
S Doerr
@en
S Doerr
@es
S Doerr
@nl
S Doerr
@sl
P106
P31
P496
0000-0002-8678-8657