Enhanced conformational sampling in molecular dynamics simulations of solvated peptides: Fragment-based local elevation umbrella sampling

Journal of Chemical Theory and Computation

Volumn 6, Issue 9, 2010, Pages 2598-2621

  Hansen, Halvor S ^a   Daura, Xavier ^b,c   Hünenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77956573932     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct1003059     Document Type: Article

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