Evaluating Boundary Dependent Errors in QM/MM Simulations-Reference-Cited by-同舟云学术

Evaluating Boundary Dependent Errors in QM/MM Simulations

Published:2009-04-02 Issue:17 Volume:113 Page:5728-5735
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Solt Iván¹,Kulhánek Petr¹,Simon István¹,Winfield Steven¹,Payne Mike C.¹,Csányi Gábor¹,Fuxreiter Monika¹

Affiliation:

1. Institute of Enzymology, Biological Research Center, Hungarian Academy of Sciences, Budapest, Hungary, and Cavendish Laboratory and Engineering Laboratory, University of Cambridge, Cambridge, United Kingdom

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/jp807277r

Reference40 articles.

1. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

2. Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

3. Combined Quantum Mechanical/Molecular Mechanical Methodologies Applied to Biomolecular Systems

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