Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models-Reference-Cited by-同舟云学术

Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models

Published:2010-09-22 Issue:40 Volume:114 Page:12811-12824
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Cerutti David S.¹,Freddolino Peter L.¹,Duke Robert E.¹,Case David A.¹

Affiliation:

1. Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers, the State University of New Jersey, 610 Taylor Road, Piscataway, New Jersey 08854-8066, Lewis-Sigler Institute for Integrative Genomics, Princeton University, Princeton, New Jersey 08544, and Laboratory of Structural Biology, National Institute of Environmental Health Sciences, Research Triangle Park, 12 Davis Drive, Chapel Hill, North Carolina 27709-5900

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/jp105813j

Reference45 articles.

1. Enhancement of Hydrophobic Interactions and Hydrogen Bond Strength by Cooperativity: Synthesis, Modeling, and Molecular Dynamics Simulations of a Congeneric Series of Thrombin Inhibitors

2. Conformational Dynamics of the Flexible Catalytic Loop inMycobacterium tuberculosis1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase

3. Computer-Based Redesign of a β Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo β Sheet Design

4. Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins

5. Molecular dynamics and protein function

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