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

First Author: Nelson L

Attributed to: Application of large-scale quantum mechanical simulation to the development of future drug therapies funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv.13116878.v2

Publication URI: http://dx.doi.org/10.26434/chemrxiv.13116878.v2

Type: Preprint