Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.

Autor: Kaminski, George A., Stern, Harry A., Berne, B. J., Friesner, Richard A., Cao, Yixiang X., Murphy, Robert B., Zhou, Ruhong, Halgren, Thomas A.
Zdroj: Journal of Computational Chemistry; Dec2002, Vol. 23 Issue 16, p1515-1531, 17p
Databáze: Complementary Index
Externí odkaz: