State Function-Based Correction: A Simple and Efficient Free-Energy Correction Algorithm for Large-Scale Relative Binding Free-Energy Calculations

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.5c01119
Affiliations:
3
Authors:
7
Go to article
Institutions Authors Share
State Key Laboratory of Anti-Infective Drug Discovery and Development, China
6.000000
 0.86
Hainan University, China
1.000000
 0.14
Interested in Theoretical and Computational Chemistry?