Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital Method
Author:
Affiliation:
1. Academic & Research Computing, Worcester Polytechnic Institute, Worcester, Massachusetts 01602, United States
2. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom
Funder
Det Frie Forskningsr?d
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b12830
Reference72 articles.
1. QM/MM Methods for Biomolecular Systems
2. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology
3. Fragmentation Methods: A Route to Accurate Calculations on Large Systems
4. Efficient and Accurate Fragmentation Methods
5. Fragment molecular orbital method: an approximate computational method for large molecules
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