📣 Try out the NEW Gateway to Research and let us know what you think.

We're looking for users to test the new service during August and September and share their feedback. Express your interest by completing this short form.

Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. (2021)

First Author: Nelson L
Attributed to:  Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.1c00328

PubMed Identifier: 33886305

Publication URI: http://europepmc.org/abstract/MED/33886305

Type: Journal Article/Review

Volume: 61

Parent Publication: Journal of chemical information and modeling

Issue: 5

ISSN: 1549-9596