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

Jean-François St-Pierre, Mikko Karttunen, Normand Mousseau, Tomasz Róg and Alex Bunker

Article (2011)

Document published while its authors were not affiliated with Polytechnique Montréal

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PolyPublie URL: https://publications.polymtl.ca/41281/
Journal Title: Journal of Chemical Theory and Computation (vol. 7, no. 6)
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ct1007058
Official URL: https://doi.org/10.1021/ct1007058
Date Deposited: 18 Apr 2023 15:12
Last Modified: 08 Apr 2025 07:05
Cite in APA 7: St-Pierre, J.-F., Karttunen, M., Mousseau, N., Róg, T., & Bunker, A. (2011). Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase. Journal of Chemical Theory and Computation, 7(6), 1583-1594. https://doi.org/10.1021/ct1007058

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