Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters.

Autor: Ehrman, Jordan N.1 (AUTHOR), Lim, Victoria T.2 (AUTHOR), Bannan, Caitlin C.2 (AUTHOR), Thi, Nam1 (AUTHOR), Kyu, Daisy Y.1 (AUTHOR), Mobley, David L.1,2 (AUTHOR) dmobley@mobleylab.org
Zdroj: Journal of Computer-Aided Molecular Design. Mar2021, Vol. 35 Issue 3, p271-284. 14p.
Databáze: Academic Search Ultimate
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