Comparing the Ability of Enhanced Sampling Molecular Dynamics Methods to Reproduce the Behavior of Fluorescent Labels on Proteins

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Comparing the Ability of Enhanced Sampling Molecular Dynamics Methods to Reproduce the Behavior of Fluorescent Labels on Proteins

Adequately sampling the large number of conformations accessible to proteins and other macromolecules is one of the central challenges in molecular dynamics (MD) simulations; this activity can be difficult, even for relatively simple systems. An example where this problem arises is in the simulation...

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Bibliographic Details
Main Authors:	Walczewska-Szewc, K., Deplazes, Evelyne, Corry, B.
Format:	Journal Article
Published:	American Chemical Society 2015
Online Access:	http://hdl.handle.net/20.500.11937/17950

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