Sampling of conformation space in torsion angle dynamics calculations
- 1 August 2001
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 138 (2) , 155-169
- https://doi.org/10.1016/s0010-4655(01)00204-1
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- The GROMOS96 benchmarks for molecular simulationComputer Physics Communications, 2000
- Parallel atomistic simulationsComputer Physics Communications, 2000
- Structure calculation of biological macromolecules from NMR data.Quarterly Reviews of Biophysics, 1998
- A fast recursive algorithm for molecular dynamics simulationJournal of Computational Physics, 1993
- Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMRspectroscopyQuarterly Reviews of Biophysics, 1993
- Sampling and efficiency of metric matrix distance geometry: A novel partial metrization algorithmJournal of Biomolecular NMR, 1992
- Derivation and testing of explicit equations of motion for polymers described by internal coordinatesJournal of Computational Physics, 1991
- The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: A study of 1830 independently computed conformationsBiopolymers, 1990
- Limited sampling of conformational space by the distance geometry algorithm: implications for structures generated from NMR dataBiochemistry, 1989
- Protein structures in solution by nuclear magnetic resonance and distance geometryJournal of Molecular Biology, 1987