Dear Saikat,
you have to create a new residue and create specific parameters for it.
Then, you can incorporate it into the structure using tleap as any other
residue.
If you want, you can check this paper where BOC has been used to cap a
non-natural peptide, subjected to aMD and H-REMD simulations.
https://pubs.rsc.org/en/Content/ArticleLanding/2019/QO/C8QO01116H#!divAbstract
If you want, I can send you the parameters I used as a private comunication.
Best regards,
Alessandro
Il 08/05/2019 13:04, Saikat Pal ha scritto:
> Dear all,I want to cap a dipeptide with Boc ((CH)3C-O-(CO)-N-terminal). What is the procedure?
>
> Thanks and Regards,
> Saikat Pal
>
>
>
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Prof. Alessandro Contini, PhD
Dipartimento di Scienze Farmaceutiche
Sezione di Chimica Generale e Organica "A. Marchesini"
Via Venezian, 21 (edificio 5 ovest, III piano) 20133 Milano
tel. +390250314480
e-mail alessandro.contini.unimi.it
skype alessandrocontini
http://www.scopus.com/authid/detail.url?authorId=7003441091
http://orcid.org/0000-0002-4394-8956
http://www.researcherid.com/rid/F-5064-2012
https://loop.frontiersin.org/people/487422
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Received on Wed May 08 2019 - 04:30:02 PDT
