Path: utzoo!attcan!uunet!bionet!lhc!usenet
From: usenet@nlm.nih.gov (usenet news poster)
Newsgroups: bionet.software
Subject: Re: Explore
Keywords: protein structure folding prediction
Message-ID: <1990Sep27.131730.13020@nlm.nih.gov>
Date: 27 Sep 90 13:17:30 GMT
References: <3137@bruce.cs.monash.OZ.AU>
Reply-To: states@tech.NLM.NIH.GOV (David States)
Organization: National Library of Medicine, Bethesda, Md.
Lines: 25

In article <3137@bruce.cs.monash.OZ.AU> lloyd@bruce.cs.monash.OZ.AU (lloyd allison) writes:
>This is to request references to a package called Explore (sp?)
>that predicts protein tertiary structure.
>
>Lloyd Allison 		
>Department of Computer Science	UUCP:	lloyd@bruce.cs.monash.edu.au
>Monash University, Clayton	or  :   uunet!munnari!bruce.cs.monash.edu!lloyd
>VICTORIA 3168, AUSTRALIA        Tel :   565-5205            FAX: +61 3 565 5146

EXPLOR is a Polygen product based on work by Axel Brunger and Martin Karplus
using molecular dynamics and simulated annealing to refine three dimensional
X-ray crystal structures.

See:

Brunger AT; Clore GM; Gronenborn AM; Karplus M
Proc Natl Acad Sci U S A 83: 3801-5 (1986)
Three-dimensional structure of proteins determined by molecular
    dynamics with interproton distance restraints: application to crambin.

and many subsequent references.

David States					states@ncbi.nlm.nih.gov
National Center for Biotechnology Information
National Library of Medicine