Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embeddedab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference56 articles.
1. Computer modeling of the interactions of complex molecules
2. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
3. Computer simulations of enzyme catalysis: Finding out what has been optimized by evolution
4. Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials
5. American Chem;Gao,1998
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