Morreale, Antonio

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