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JCC
2008
132views more  JCC 2008»
13 years 6 months ago
The implementation of a fast and accurate QM/MM potential method in Amber
Abstract: Version 9 of the Amber simulation programs includes a new semi-empirical hybrid QM/MM functionality. This includes support for implicit solvent (generalized Born) and for...
Ross C. Walker, Michael F. Crowley, David A. Case