The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase. (2022)

First Author: Wan S
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/10.1038/s41598-022-13319-6

PubMed Identifier: 35729177

Publication URI: http://europepmc.org/abstract/MED/35729177

Type: Journal Article/Review

Volume: 12

Parent Publication: Scientific reports

Issue: 1

ISSN: 2045-2322