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Zhang H, Yin C, Jiang Y, van der Spoel D
J Chem Inf Model 58 (5) 1037-1052 [2018-05-29; online 2018-04-18]
Thermodynamic and kinetic properties are of critical importance for the applicability of computational models to biomolecules such as proteins. Here we present an extensive evaluation of the Amber ff99SB-ILDN force field for modeling of hydration and diffusion of amino acids with three-site (SPC, SPC/E, SPC/E
PubMed 29648448
DOI 10.1021/acs.jcim.8b00026
Crossref 10.1021/acs.jcim.8b00026