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Robust FEP Protocols for Creating Molecules in Solution
Cabeza de Vaca, Israel, Zarzuela, Ricardo, Tirado-Rives, Julian, Jorgensen, William LJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00213
Date:
June, 2019
File:
PDF, 763 KB
2019