Quantum Mechanical Modeling: A Tool for the Understanding of Enzyme Reactions
Most enzyme reactions involve formation and cleavage of covalent bonds, while electrostatic effects, as well as dynamics of the active site and surrounding protein regions, may also be crucial. Accordingly, special computational methods are needed to provide an adequate description, which combine qu...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
MDPI
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4030948/ |