A Test on Peptide Stability of AMBER Force Fields with Implicit Solvation-Reference-Cited by-同舟云学术

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A Test on Peptide Stability of AMBER Force Fields with Implicit Solvation

Published:2008-05-10 Issue:22 Volume:112 Page:6878-6886
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Shell M. Scott¹,Ritterson Ryan²,Dill Ken A.³

Affiliation:

1. Department of Chemical Engineering, University of California Santa Barbara, Santa Barbara, California 93106-5080

2. Graduate Group in Biophysics, University of California San Francisco, San Francisco, California 94143

3. Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94143

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/jp800282x

Reference52 articles.

1. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

2. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

3. The Amber biomolecular simulation programs

4. The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

5. Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution

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