A simple molecular mechanics integrator in mixed rigid body and dihedral angle space-Reference-Cited by-同舟云学术

A simple molecular mechanics integrator in mixed rigid body and dihedral angle space

Published:2014-07-21 Issue:3 Volume:141 Page:034105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Vitalis Andreas¹,Pappu Rohit V.²

Affiliation:

1. Department of Biochemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland

2. Department of Biomedical Engineering and Center for Biological Systems Engineering, Washington University in St. Louis, One Brookings Drive, Campus Box 1097, St. Louis, Missouri 63130, USA

Funder

National Science Foundation (NSF)

National Institute of Neurological Disorders and Stroke (NINDS)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4887339

Reference58 articles.

1. Molecular dynamics simulations of biomolecules

2. Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations

3. What Makes Molecular Dynamics Work?

4. High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

5. Long-timescale molecular dynamics simulations of protein structure and function

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