The object-oriented development of a parallel application in protein dynamics: why we need software tools for HPCN applications

Author:

Bækdal Lars,Joosen Wouter,Larsen Thomas,Kolafa Jiri,Ovesen Jens H.,Perram John W.,Petersen Henrik G.,Bywater Robert,Ratner Mark

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference12 articles.

1. Molecular dynamics simulations of proteins in solution: Artefacts caused by the cutoff approximation;Saito;J. Chem. Phys.,1994

2. Large-scale molecular dynamics on massively parallel processors: Part II;Beazley;SIAM News,1995

3. The object-oriented development of a parallel application in polymer dynamics;Larsen,1994

4. The rapid evaluation of potential fields in particle systems;Greengard,1988

5. Simulation of electrostatic systems in periodic boundary conditions: I Lattice sums and dielectric constants;Perram,1980

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1. Molecular simulation and object-orientation;Molecular Simulation of Fluids;2024

2. Numerical simulation of the motion of granular material using object-oriented techniques;Computer Methods in Applied Mechanics and Engineering;2002-02

3. Essential Motions and Energetic Contributions of Individual Residues in a Peptide Bound to an SH3 Domain;Biophysical Journal;2000-08

4. Ship design optimization;Lecture Notes in Computer Science;1998

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