Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation-Reference-Cited by-同舟云学术

Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation

Published:2000-03-22 Issue:15 Volume:104 Page:3668-3675
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Weber Wolfgang¹,Hünenberger Philippe H.¹,McCammon J. Andrew¹

Affiliation:

1. Department of Chemistry and Biochemistry and Department of Pharmacology, University of California at San Diego, 9500 Gilman Drive, La Jolla, California 92093-0365 and Laboratorium für Physikalische Chemie, ETH Zentrum, Universitätstrasse 6, CH-8092 Zürich, Switzerland

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/jp9937757

Reference55 articles.

1. Harvey, S. C.Proteins: Struct. Funct. Genet.1989,5, 78.

2. Electrostatics in biomolecular structure and dynamics

3. COMPUTER SIMULATIONS WITH EXPLICIT SOLVENT: Recent Progress in the Thermodynamic Decomposition of Free Energies and in Modeling Electrostatic Effects

4. MOLECULAR DYNAMICS SIMULATIONS OF BIOMOLECULES: Long-Range Electrostatic Effects

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