Constant Temperature Constrained Molecular Dynamics: The Newton−Euler Inverse Mass Operator Method-Reference-Cited by-同舟云学术

Constant Temperature Constrained Molecular Dynamics: The Newton−Euler Inverse Mass Operator Method

Published:1996-01-01 Issue:25 Volume:100 Page:10508-10517
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Vaidehi Nagarajan¹,Jain Abhinandan¹,Goddard William A.¹

Affiliation:

1. Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering (CN 9114), California Institute of Technology, Pasadena, California 91125, and Jet Propulsion Laboratory/California Institute of Technology, 4800 Oak Grove Drive, Pasadena, California 91109

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp953043o

Reference24 articles.

1. New Methodology for Computer-Aided Modelling of Biomolecular Structure and Dynamics 1. Non-Cyclic Structures

2. A fast recursive algorithm for molecular dynamics simulation

3. Torsion angle dynamics: Reduced variable conformational sampling enhances crystallographic structure refinement

4. Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics

5. Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactions

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