MOIL: A program for simulations of macromolecules
Open Access
- 2 September 1995
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 91 (1-3) , 159-189
- https://doi.org/10.1016/0010-4655(95)00047-j
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculationsPublished by Elsevier ,2004
- Microscopic modeling of ligand diffusion through the protein leghemoglobin: computer simulations and experimentsJournal of the American Chemical Society, 1992
- Reaction path study of ligand diffusion in proteins: application of the self penalty walk (SPW) method to calculate reaction coordinates for the motion of CO through leghemoglobinJournal of the American Chemical Society, 1991
- Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobinJournal of the American Chemical Society, 1990
- Reaction path study of conformational transitions in flexible systems: Applications to peptidesThe Journal of Chemical Physics, 1990
- A new force field for molecular mechanical simulation of nucleic acids and proteinsJournal of the American Chemical Society, 1984
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- A solution for the best rotation to relate two sets of vectorsActa Crystallographica Section A, 1976
- The free energy of spheres with dipoles: Monte Carlo with multistage samplingChemical Physics Letters, 1973
- Fluctuations and Irreversible ProcessesPhysical Review B, 1953