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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
Roos, Katarina, Wu, Chuanjie, Damm, Wolfgang, Reboul, Mark, Stevenson, James M., Lu, Chao, Dahlgren, Markus K., Mondal, Sayan, Chen, Wei, Wang, Lingle, Abel, Robert, Friesner, Richard A, Harder, EdwarLangue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01026
Date:
February, 2019
Fichier:
PDF, 1.16 MB
english, 2019