The GROMOS Biomolecular Simulation Program Package
- 24 April 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (19), 3596-3607
- https://doi.org/10.1021/jp984217f
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Local elevation: A method for improving the searching properties of molecular dynamics simulationJournal of Computer-Aided Molecular Design, 1994
- Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulationsChemical Physics Letters, 1994
- A Structure Refinement Method Based on Molecular Dynamics in Four Spatial DimensionsJournal of Molecular Biology, 1993
- Cyclosporin A—cyclophilin complex formation A model based on X‐ray and NMR dataFEBS Letters, 1992
- Time-dependent distance restraints in molecular dynamics simulationsChemical Physics Letters, 1989
- A Leap-frog Algorithm for Stochastic DynamicsMolecular Simulation, 1988
- Calculation of protein conformations by proton-proton distance constraintsJournal of Molecular Biology, 1985
- Peptide conformations. Part 31. The conformation of cyclosporin a in the crystal and in solutionHelvetica Chimica Acta, 1985
- Algorithms for macromolecular dynamics and constraint dynamicsMolecular Physics, 1977
- The protein data bank: A computer-based archival file for macromolecular structuresJournal of Molecular Biology, 1977