Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase

Jean-Francois St-Pierre, Mikko Karttunen, Normand Mousseau, Tomasz Rog, Alex Bunker

Research output: Contribution to journal › Article › Scientific › peer-review

28 Citations (Scopus)

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
MoE publication type	A1 Journal article-refereed

Access to Document

@article{8e4b622697a543178b6737b5168c0907,

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 Tomasz Rog and Alex Bunker",

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, Tomasz

AU - Bunker, Alex

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 -