Optimization of Alchemical Pathways Using Extended...

Journal of Chemical Theory and Computation 2021 / 01 Vol. 17; Iss. 1

Optimization of Alchemical Pathways Using Extended Thermodynamic Integration

de Ruiter, Anita, Petrov, Drazen, Oostenbrink, Chris
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Volume:
17
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c01170
Date:
January, 2021
File:
PDF, 1.75 MB
2021
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