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Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics

Parallel tempering (PT) molecular dynamics simulations have been extensively investigated as a means of efficient sampling of the configurations of biomolecular systems. Recent work has demonstrated how the short physical trajectories generated in PT simulations of biomolecules can be used to constr...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Prinz, Jan-Hendrik, Chodera, John D., Pande, Vijay S., Swope, William C., Smith, Jeremy C., Noé, Frank
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Institute of Physics 2011
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC3139503/
https://ncbi.nlm.nih.gov/pubmed/21721613
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3592153
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