Exploring Novel Directions in Free Energy Calculations
J Chem Inf Model
.
2020 Nov 23;60(11):5283-5286.
doi: 10.1021/acs.jcim.0c01266.
Authors
Kira A Armacost
1
,
Sereina Riniker
2
,
Zoe Cournia
3
Affiliations
1
Computational and Structural Chemistry, MRL, Merck & Co., Inc. West Point, Pennsylvania 19486, United States.
2
Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
3
Biomedical Research Foundation Academy of Athens, Soranou Ephessiou 4, 11527 Athens, Greece.
PMID:
33222441
DOI:
10.1021/acs.jcim.0c01266
No abstract available
Publication types
Editorial
MeSH terms
Entropy*
Thermodynamics