Using the Maximum Entropy Principle to Combine Simulations and Solution Experiments

Molecular dynamics (MD) simulations allow the investigation of the structural dynamics of biomolecular systems with unrivaled time and space resolution. However, in order to compensate for the inaccuracies of the utilized empirical force fields, it is becoming common to integrate MD simulations with...

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Bibliographic Details
Main Authors: Andrea Cesari, Sabine Reißer, Giovanni Bussi
Format: Article
Language:English
Published: MDPI AG 2018-02-01
Series:Computation
Subjects:
Online Access:http://www.mdpi.com/2079-3197/6/1/15

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