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  Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors

Mladenovic, M., Ansorg, K., Fink, R. F., Thiel, W., Schirmeister, T., & Engels, B. (2008). Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors. Journal of Physical Chemistry B, 112, 11798-11808. doi:10.1021/jp803895f.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-903F-E Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3111-E
Genre: Journal Article

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 Creators:
Mladenovic, M.1, Author
Ansorg, K.1, Author
Fink, R. F.1, Author
Thiel, W.2, Author           
Schirmeister, T.1, Author
Engels, B.1, Author
Affiliations:
1[Mladenovic, Milena; Ansorg, Kay; Fink, Reinhold F.; Engels, Bernd] Univ Würzburg, Inst Organ Chem, D-97074 Würzburg, Germany.; [Schirmeister, Tanja] Univ Würzburg, Inst Pharm & Lebensmittelchem, D-97074 Würzburg, Germany., ou_persistent22              
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Language(s): eng - English
 Dates: 2008
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 407449
DOI: 10.1021/jp803895f
ISI: 000259140600045
 Degree: -

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Title: Journal of Physical Chemistry B
  Alternative Title : J. Phys. Chem. B
Source Genre: Journal
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Publ. Info: -
Pages: - Volume / Issue: 112 Sequence Number: - Start / End Page: 11798 - 11808 Identifier: ISSN: 1520-6106