📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Ensemble-Based Replica Exchange Alchemical Free Energy Methods: The Effect of Protein Mutations on Inhibitor Binding. (2019)

First Author: Bhati AP

Attributed to: UK Consortium on Mesoscale Engineering Sciences (UKCOMES) funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.8b01118

PubMed Identifier: 30592603

Publication URI: http://europepmc.org/abstract/MED/30592603

Type: Journal Article/Review

Volume: 15

Parent Publication: Journal of chemical theory and computation

Issue: 2

ISSN: 1549-9618