Novel Directions in Free Energy Methods and Applications
J Chem Inf Model
.
2020 Jan 27;60(1):1-5.
doi: 10.1021/acs.jcim.9b01174.
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:
31983210
DOI:
10.1021/acs.jcim.9b01174
No abstract available
Publication types
Editorial
MeSH terms
Ligands
Machine Learning
Models, Chemical*
Thermodynamics*
Substances
Ligands