Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics (2022)
Attributed to:
Novel Enhanced Sampling Methods in Multiscale Modeling
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00924
PubMed Identifier: 35195418
Publication URI: http://europepmc.org/abstract/MED/35195418
Type: Journal Article/Review
Parent Publication: Journal of Chemical Theory and Computation
Issue: 4
ISSN: 1549-9618