Protein calculations on parallel processors. I. Parallel algorithm for the potential energy
- 1 May 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (4) , 533-538
- https://doi.org/10.1002/jcc.540130414
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Variable step molecular dynamics: An exploratory technique for peptides with fixed geometryJournal of Computational Chemistry, 1990
- Use of parallel processing in the study of protein. Ligand bindingJournal of Computational Chemistry, 1990
- Computational Structure of the N-Body ProblemSIAM Journal on Scientific and Statistical Computing, 1989
- Monte Carlo-minimization approach to the multiple-minima problem in protein folding.Proceedings of the National Academy of Sciences, 1987
- A hierarchical O(N log N) force-calculation algorithmNature, 1986
- Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1983
- Conformational analysis of proteins: Algorithms and data structures for array processingJournal of Computational Chemistry, 1980
- Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1975
- Intermolecular potentials from crystal data. IV. Application of empirical potentials to the packing configurations and lattice energies in crystals of amino acidsThe Journal of Physical Chemistry, 1974
- Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amidesThe Journal of Physical Chemistry, 1974