Structure⧸Function Correlations of Proteins using MM, QM⧸MM, and Related Approaches: Methods, Concepts, Pitfalls, and Current Progress
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Elsevier
Reference234 articles.
1. Computer modeling of chemical reactions in enzymes and solutions;Warshel,1991
2. Molecular Mechanics;Burkert,1982
3. A consistent force field for calculation of conformations, vibrational spectra and enthalpies of cycloalkanes and n-alkane molecules;Lifson;J. Chem. Phys.,1968
4. Refinement of protein conformations using a macromolecular energy minimization procedure
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