X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water-Reference-Cited by-同舟云学术

X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water

Published:2009-02-17 Issue:3 Volume:5 Page:459-467
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Xie Wangshen¹,Orozco Modesto¹,Truhlar Donald G.¹,Gao Jiali¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis Minnesota 55455-0431, and Barcelona SuperComputer Center—Institute for Research in Biomedicina Joint Program on Computational Biology, C/ Jordi Girona 29, 08034 Barcelona, Spain and Josep Samitier 1-5, 08028 Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800239q

Reference87 articles.

1. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

2. Long-timescale simulation methods

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4. A consensus view of protein dynamics

5. Potential functions and conformations in cycloalkanes

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