Comparison of the molecular mechanics + generalized Born/surface area and the ab initio + Monte Carlo simulation methods in estimating conformational equilibria in aqueous solution.

Autor: Nagy, Peter I., Bitar, Joseph E., Smith, Douglas A.
Zdroj: Journal of Computational Chemistry; Nov1994, Vol. 15 Issue 11, p1228-1240, 13p
Databáze: Complementary Index
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