Using Empirical Valence Bond Constructs as Reference Potentials For High-Level Quantum Mechanical Calculations
Author:
Affiliation:
1. Department of Chemistry; Stanford University; United States
Publisher
John Wiley & Sons, Ltd
Reference79 articles.
1. Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: Accelerated QM/MM studies of pKa, redox reactions and solvation free energies;Kamerlin;Journal of Physical Chemistry B,2009
2. Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods;Hu;Annual Review of Physical Chemistry,2008
3. Mechanisms and free energies of enzymatic reactions;Gao;Chemical Reviews,2006
4. Quantum and molecular mechanical Monte Carlo techniques for modeling condensed-phase reactions;Acevedo;Wiley Interdisciplinary Reviews: Computational Molecular Science,2014
5. QM/MM methods for biomolecular systems;Senn;Angewandte Chemie International Edition,2009
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