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  Force-Field Parameters for the Simulation of Tetrahedral Intermediates of Serine Hydrolases

Otte, N., Bocola, M., & Thiel, W. (2009). Force-Field Parameters for the Simulation of Tetrahedral Intermediates of Serine Hydrolases. Journal of Computational Chemistry, 30, 154-162. doi:10.1002/jcc.21037.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8EEB-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-2F92-C
Genre: Journal Article

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 Creators:
Otte, N.1, Author           
Bocola, M.1, Author           
Thiel, W.1, Author           
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Free keywords: CHARMM force field; parametrization; QM/MM; lipases; enantioselectivity
 Abstract: -

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Language(s): eng - English
 Dates: 2009
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 460525
DOI: 10.1002/jcc.21037
ISI: 000261907000015
 Degree: -

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Title: Journal of Computational Chemistry
  Alternative Title : J. Comput. Chem.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 30 Sequence Number: - Start / End Page: 154 - 162 Identifier: ISSN: 0192-8651