Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free Energy Calculations (2021)
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
Publication URI: http://dx.doi.org/10.26434/chemrxiv.13116878
Type: Preprint