Toward QM/MM Simulation of Enzymatic Reactions with the Drude Oscillator Polarizable Force Field
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct401095k
Reference105 articles.
1. QM/MM Methods for Biomolecular Systems
2. QM/MM: what have we learned, where are we, and where do we go from here?
3. Shurki, A.; Warshel, A.InAdvances in Protein Chemistry;Valerie, D., Ed.Academic Press:San Diego, CA, 2003; Vol.66, p249.
4. Senn, H.; Thiel, W.InAtomistic Approaches in Modern Biology;Reiher, M., Ed.Springer:Berlin, 2007; Vol.268, p173.
5. Modeling environment effects on spectroscopies through QM/classical models
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