High-Efficiency Microiterative Optimization in QM/MM Simulations of Large Flexible Systems-Reference-Cited by-同舟云学术

High-Efficiency Microiterative Optimization in QM/MM Simulations of Large Flexible Systems

Published:2016-08-23 Issue:9 Volume:12 Page:4632-4643
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Yan¹,Xie Peng¹,He Xiaohu¹,Han Keli¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Zhongshan Road 457, Dalian 116023, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00547

Reference64 articles.

1. QM/MM Methods for Biological Systems

2. QM/MM: what have we learned, where are we, and where do we go from here?

3. QM/MM Methods for Biomolecular Systems

4. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

5. Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions

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