Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration

Entropy

Volumn 16, Issue 1, 2014, Pages 163-199

  Abrams, Cameron ^a   Bussi, Giovanni ^b  

^a Drexel University   (United States)

^b SISSA   (Italy)

Author keywords

Adaptive biasing force algorithm; Blue moon sampling; Collective variables; Free energy; Metadynamics; Temperature acceleration; Umbrella sampling

Indexed keywords

EID: 84893173849     PISSN: None     EISSN: 10994300     Source Type: Journal    
DOI: 10.3390/e16010163     Document Type: Article

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