Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase

Julkaisun otsikon käännös: Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase

Tutkimustuotos: Artikkeli › Tieteellinen › vertaisarvioitu

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Julkaisun otsikon käännös	Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase
Alkuperäiskieli	Englanti
Sivut	1583-1594
Julkaisu	Journal of Chemical Theory and Computation
Vuosikerta	7
Numero	6
DOI - pysyväislinkit	https://doi.org/10.1021/ct1007058
Tila	Julkaistu - 2011
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Julkaisufoorumi-taso

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title = "Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase",

author = "Jean-Francois St-Pierre and Mikko Karttunen and Normand Mousseau and Thomasz Rog and Alex Bunker",

note = "Contribution: organisation=fys,FACT1=1",

year = "2011",

doi = "10.1021/ct1007058",

language = "English",

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journal = "Journal of Chemical Theory and Computation",

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TY - JOUR

T1 - Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase

AU - St-Pierre, Jean-Francois

AU - Karttunen, Mikko

AU - Mousseau, Normand

AU - Rog, Thomasz

AU - Bunker, Alex

N1 - Contribution: organisation=fys,FACT1=1

PY - 2011

Y1 - 2011

U2 - 10.1021/ct1007058

DO - 10.1021/ct1007058

M3 - Article

SN - 1549-9618

VL - 7

SP - 1583

EP - 1594

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 6

ER -