Adaptive resolution simulations of biomolecular systems

In this review article, we discuss and analyze some recently developed hybrid atomistic–mesoscopic solvent models for multiscale biomolecular simulations. We focus on the biomolecular applications of the adaptive resolution scheme (AdResS), which allows solvent molecules to change their resolution b...

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Veröffentlicht in:	European biophysics journal 2017-12, Vol.46 (8), p.821-835
Hauptverfasser:	Zavadlav, Julija, Bevc, Staš, Praprotnik, Matej
Format:	Artikel
Sprache:	eng
Schlagworte:	Adaptive systems Biochemistry Biological and Medical Physics Biomedical and Life Sciences Biophysics Cell Biology Coarsening Computer simulation Coupling (molecular) Dipole moments Fluid dynamics Life Sciences Macromolecular Substances - chemistry Mapping Membrane Biology Models, Molecular Molecular modelling Nanotechnology Neurobiology Physical simulation Representations Review Reviews Simulation Solvents Solvents - chemistry Water chemistry Water springs
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