Concepedia
Biophysical Journal · 2016 · 36 citations · 60 references
Open access
Magainin 2Proteinlipid InteractionProtein AssemblyBiochemistryProtein FoldingNatural SciencesMolecular BiologyConformational StudyStructural BiologyProtein NmrMedicineBiophysics
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Comparison of simple potential functions for simulating liquid water
William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 41.1K citations
Engineering, Liquid-liquid Flow, Fluid Mechanics +18
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 29.8K citations · Full text
Numerical Analysis, Engineering, Electrostatic Energies +18
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 19.5K citations
LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 16.6K citations
Linear Constraint Solver, Bond Constraints, Molecular Sciences +15
A molecular dynamics method for simulations in the canonical ensemble
Shūichi Nosé · Molecular Physics · 1984 · 9.9K citations
Total Energy, Engineering, Canonical Distribution +16