Literature DB >> 23034763

Multiscale molecular modeling.

Matej Praprotnik1, Luigi Delle Site.   

Abstract

We review the basic theoretical principles of the adaptive resolution simulation scheme (AdResS). This method allows to change molecular resolution on-the-fly during a simulation by changing the number of degrees of freedom in specific regions of space where the required resolution is higher than in the rest of the system. We also report about recent extensions of the method to the continuum and quantum regimes.

Mesh:

Year:  2013        PMID: 23034763     DOI: 10.1007/978-1-62703-017-5_21

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  2 in total

1.  Dissipative Particle Dynamics Simulation of Ultrasound Propagation through Liquid Water.

Authors:  Petra Papež; Matej Praprotnik
Journal:  J Chem Theory Comput       Date:  2022-01-10       Impact factor: 6.006

2.  A machine learning method for the prediction of receptor activation in the simulation of synapses.

Authors:  Jesus Montes; Elena Gomez; Angel Merchán-Pérez; Javier Defelipe; Jose-Maria Peña
Journal:  PLoS One       Date:  2013-07-23       Impact factor: 3.240

  2 in total

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