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- W1669673124 abstract "We present a recently developed alternative solvent model for biomolecules simulations that combine advantages of both explicit models (molecular aspect of water for structural informations) and implicit approaches (efficient and rapid calculation of solvation free energies). This model, named Polarizable Pseudo‐Particles (PPP), allows stable molecular dynamics simulations in the nanosecond range and yields free energies in good correlation with Poisson‐Boltzmann calculations." @default.
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- W1669673124 date "2006-01-01" @default.
- W1669673124 modified "2023-10-16" @default.
- W1669673124 title "A Particle Based Implicit Solvent Model for Biomolecular Simulations" @default.
- W1669673124 doi "https://doi.org/10.1063/1.2345637" @default.
- W1669673124 hasPublicationYear "2006" @default.
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