Development of an Atomistic Brownian Dynamics Algorithm with Implicit Solvent Model for Long Time Simulation.
نویسندگان
چکیده
منابع مشابه
Development of an Atomistic Brownian Dynamics Algorithm with Implicit Solvent Model for Long Time Simulation
We report the implementation of an atomistic Brownian dynamics simulation of proteins. A protein was described by united-atom model with AMBER91 force field. The solvent was treated by distance-dependent dielectric/surface area model. The computation time of the Brownian dynamics and the calculated results on structure and dynamics of 28-mer ββα fold peptide with the implicit solvent model were...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2002
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.1.115