Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration

We review a selection of methods for performing enhanced sampling in molecular dynamics simulations. We consider methods based on collective variable biasing and on tempering, and offer both historical and contemporary perspectives. In collective-variable biasing, we first discuss methods stemming f...

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Egile Nagusiak:	Cameron Abrams, Giovanni Bussi
Formatua:	Artigo
Hizkuntza:	Inglês
Argitaratua:	MDPI AG 2013-12-01
Saila:	Entropy
Gaiak:	collective variables free energy blue-moon sampling adaptive-biasing force algorithm temperature-acceleration umbrella sampling metadynamics
Sarrera elektronikoa:	http://www.mdpi.com/1099-4300/16/1/163
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