Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2-Reference-Cited by-同舟云学术

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Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2

Published:2016-05-03 Issue:19 Volume:37 Page:1801-1809
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Vasilevskaya Tatiana¹,Khrenova Maria G.²³,Nemukhin Alexander V.²⁴,Thiel Walter¹

Affiliation:

1. Max-Planck-Institut für Kohlenforschung; Mülheim an der Ruhr Germany

2. Chemistry Department; Lomonosov Moscow State University; Moscow Russia

3. A.N. Bach Institute of Biochemistry, Russian Academy of Sciences; Moscow Russia

4. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences; Moscow Russia

Funder

Deutsche Forschungsgemeinschaft (Cluster of Excellence RESOLV [EXC 1069])

President of the Russian Federation

Russian Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference43 articles.

1. QM/MM Methods for Biomolecular Systems

2. Catalytic Mechanism of Matrix Metalloproteinases: Two-Layered ONIOM Study

3. Peptide Hydrolysis Catalyzed by Matrix Metalloproteinase 2: A Computational Study

4. Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations

5. Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling

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4. Unraveling the Reaction Mechanism of Russell’s Viper Venom Factor X Activator: A Paradigm for the Reactivity of Zinc Metalloproteinases?;Journal of Chemical Information and Modeling;2023-04-24

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