AMBER Archive (2004)

Subject: Re: AMBER: About binding energy

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Sat Sep 18 2004 - 23:53:36 CDT

Hi,

the mm-pbsa and the thermodynamic integration methods might be of
interest for you. Both are described in the amber manual.

Cheers,
Oliver

Xiao He wrote:
> Dear Amber users,
>
> How to use Amber to manage binding free energy calculations for drug-protein interaction?
>
> 　　　　　　　　Xiao He
> 　　　　　　　　hx_at_itcc.nju.edu.cn
> 　　　　　　　　　　2004-09-18
>
>
>
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-- 
_______________________________________________________________

Oliver Hucke, Dr.
                              Health Sciences Building - K418C
University of Washington      1959 NE Pacific St.
Dept. of Biochemistry         phone: (206) 685 7046
Box 357742                    fax  : (206) 685 7002
Seattle, WA 98195-7742        email: ohucke_at_u.washington.edu
_______________________________________________________________

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