Continuum and discrete calculation of fractional contributions to solvation free energy. [electronic resource]
- Journal of computational chemistry Oct 2003
- 1610-23 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
0192-8651
10.1002/jcc.10323 doi
Algorithms Computational Biology--methods Computer Simulation Energy Transfer Models, Chemical Molecular Structure Pharmaceutical Preparations--chemistry Structure-Activity Relationship Thermodynamics