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BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations.

Authors :
Heinzelmann, Germano
Huggins, David J.
Gilson, Michael K.
Source :
Journal of Chemical Theory & Computation; 8/13/2024, Vol. 20 Issue 15, p6518-6530, 13p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
15
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
179020810
Full Text :
https://doi.org/10.1021/acs.jctc.4c00205