Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions-Reference-Cited by-同舟云学术

Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions

Published:2006-06-27 Issue:28 Volume:110 Page:13682-13684
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Cisneros G. Andrés¹,Piquemal Jean-Philip¹,Darden Thomas A.¹

Affiliation:

1. Laboratory of Structural Biology, National Institute of Environmental Health Sciences, Box 12233 MD F0-08 Research Triangle Park (RTP), North Carolina 27709

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp062768x

Reference18 articles.

1. Computational Studies of Enzyme-Catalyzed Reactions: Where Are We in Predicting Mechanisms and in Understanding the Nature of Enzyme Catalysis?

2. A Critical Evaluation of Different QM/MM Frontier Treatments with SCC-DFTB as the QM Method

3. Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM

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