Algorithm for rapid calculation of Hessian of conformational energy function of proteins by supercomputer
- 1 July 1987
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 8 (5), 625-635
- https://doi.org/10.1002/jcc.540080507
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Efficient monte carlo method for simulation of fluctuating conformations of native proteinsBiopolymers, 1985
- Protein normal-mode dynamics: Trypsin inhibitor, crambin, ribonuclease and lysozymeJournal of Molecular Biology, 1985
- Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins general recurrent equationsComputers & Chemistry, 1984
- Conformational change of a globular protein elucidated at atomic resolution: Theoretical and nuclear magnetic resonance studyJournal of Molecular Biology, 1983
- Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.Proceedings of the National Academy of Sciences, 1983
- A Method of Rapid Calculation of a Second Derivative Matrix of Conformational Energy for Large MoleculesJournal of the Physics Society Japan, 1983
- Dynamics of a small globular protein in terms of low-frequency vibrational modes.Proceedings of the National Academy of Sciences, 1983
- Collective variable description of small-amplitude conformational fluctuations in a globular proteinNature, 1982
- Simulation of Protein DynamicsAnnual Review of Physical 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