Automatic parameterization of force field by systematic search and genetic algorithms
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference47 articles.
1. Molecular Mec;Burkert,1982
2. Computer modeling of the interactions of complex molecules
3. ; Dynamics of Proteins and Nucleic Acids; Cambridge University Press: New York, 1987.
4. Free energy calculations: Applications to chemical and biochemical phenomena
5. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
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