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

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Translated title of the contribution	Use of umbrella sampling to calculate the entrance/exit pathway for Z-pro-prolinal inhibitor in prolyl oligopeptidase
Original language	English
Pages (from-to)	1583-1594
Journal	Journal of Chemical Theory and Computation
Volume	7
Issue number	6
DOIs	https://doi.org/10.1021/ct1007058
Publication status	Published - 2011
Publication type	A1 Journal article-refereed

Publication forum classification

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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",

volume = "7",

pages = "1583--1594",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "6",

}

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 -