Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies (2020)

First Author: Evans R
Attributed to:  Computer Aided Design of Synthetic Viruses 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

Parent Publication: Journal of Chemical Theory and Computation

Issue: 7

ISSN: 1549-9618