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 journalArticleScientificpeer-review

    24 Citations (Scopus)
    Original languageEnglish
    Pages (from-to)1583-1594
    JournalJournal of Chemical Theory and Computation
    Volume7
    Issue number6
    DOIs
    Publication statusPublished - 2011
    MoE publication typeA1 Journal article-refereed

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