Influence of Artificial Periodicity and Ionic Strength in Molecular Dynamics Simulations of Charged Biomolecules Employing Lattice-Sum Methods
- 17 December 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 108 (2) , 774-788
- https://doi.org/10.1021/jp0350924
Abstract
No abstract availableThis publication has 102 references indexed in Scilit:
- The solution structure of the homeodomain of the rat insulin-gene enhancer protein Isl-1. Comparison with other homeodomains 1 1Edited by A. R. FershtJournal of Molecular Biology, 1999
- Molecular dynamics simulations of the hyperthermophilic protein sac7d from Sulfolobus acidocaldarius : contribution of salt bridges to thermostability 1 1Edited by B. HonigJournal of Molecular Biology, 1999
- Observation of theA-DNA toB-DNA Transition During Unrestrained Molecular Dynamics in Aqueous SolutionJournal of Molecular Biology, 1996
- Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systemsComputer Physics Communications, 1996
- Na+–Na+ and Cl−–Cl− ion pairs in water: Mean force potentials by constrained molecular dynamicsThe Journal of Chemical Physics, 1991
- Dielectric constants from computer simulationsMolecular Physics, 1987
- Molecular dynamics with coupling to an external bathThe Journal of Chemical Physics, 1984
- Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical featuresBiopolymers, 1983
- Simulation of Polar and Polarizable FluidsAnnual Review of Physical Chemistry, 1981
- High-Temperature Equation of State by a Perturbation Method. I. Nonpolar GasesThe Journal of Chemical Physics, 1954