Concepedia
Carbohydrate Polymers · 2020 · 29 citations · 64 references
Natural SciencesMaterials EngineeringMaterials ScienceBiomaterialsPolymer ChemistryPolymer MaterialsPolymer PhysicsPolymer StabilityPolymer StabilizationPolymer StructureProtein DynamicsProtein StructureChitosanPegylationStabilization By ChitosanStabilization Mechanisms
64
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 · 42.1K citations
Natural Sciences, Chemistry, Physics +17
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 · 30.7K citations · Full text
Natural Sciences, Chemistry, Physics +13
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text
Computing, Computer Science, High-performance Computing +11
Canonical dynamics: Equilibrium phase-space distributions
William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations
Natural Sciences, Physics, Dynamical Systems +14
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations
Natural Sciences, Chemistry, Physics +15