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Journal article

The catalytic mechanism of the marine-derived macrocyclase PatGmac

Abstract:

Cyclic peptides are a class of compounds with high therapeutic potential, possessing bioactivities including antitumor and antiviral (including anti-HIV). Despite their desirability, efficient design and production of these compounds has not been achieved to date. The catalytic mechanism of patellamide macrocyclization by the PatG macrocyclase domain has been computationally investigated by using quantum mechanics/molecular mechanics methodology, specifically ONIOM(M06/6-311++G(2d,2p):ff94//B...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1002/chem.201601670

Authors


Ferreira, P More by this author
Calixto, AR More by this author
Jaspars, M More by this author
Houssen, W More by this author
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Publisher:
Wiley Publisher's website
Journal:
Chemistry - A European Journal Journal website
Volume:
22
Issue:
37
Pages:
13089–13097
Publication date:
2016-07-08
DOI:
EISSN:
1521-3765
ISSN:
0947-6539
Pubs id:
pubs:699014
URN:
uri:e6865fd2-8a0d-4a55-a6c1-7a550fc37a16
UUID:
uuid:e6865fd2-8a0d-4a55-a6c1-7a550fc37a16
Local pid:
pubs:699014

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