Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies. (2020)
Attributed to:
EPSRC Flagship Software - BioSimSpace: A shared space for the community development of biomolecular simulation workflows
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.0c00075
PubMed Identifier: 32427471
Publication URI: http://europepmc.org/abstract/MED/32427471
Type: Journal Article/Review
Volume: 16
Parent Publication: Journal of chemical theory and computation
Issue: 7
ISSN: 1549-9618