From: RVS22@JPNAIST.BITNET ("RVS22@JPNAIST ANDREAS,TSUKUBA/JAPA")
Newsgroups: bionet.software
Subject: (COPY) BIOCOMPUTING & AI AT NLM
Date: 2 Oct 92 02:24:00 GMT
Distribution: bionet

DEAR BIOSOFTS,

COULD YOU HAVE AN ANSWER TO MY QUESTION BELLOW?  THANKS.   ANDREAS RVS22@JPNAIS
T
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From: hunter@NLM.NIH.GOV(Larry Hunter)
Message-Id: <9210011556.AA05651@work.nlm.nih.gov>
To:       RVS22
.GOV"
Subject: BIOCOMPUTING & AI AT NLM



   Date:    Thu, 01 Oct 92 19:44 JST
   To: HUNTER
   From: "RVS22%JPNAIST ANDREAS,TSUKUBA/JAPA" <RVS22%JPNAIST.BITNET@CU.NIH.GOV>

   DEAR DR.HUNTER,

   PLEASE RESPOND:

   1.LIST OF AL AI-TECHNICAL DOCUMENTS FROM THE NLM

Such a list is not kept.  The closest available document would be the NLM
annual report, which contains a bibliography.  You may request one by writing
to:

  National Library of Medicine
  Office of Public Information
  Building 38, Room 2S10
  Bethesda, MD 20894 USA


   2.YOUR CURRENT PROJECT AS DIFFERENT FROM THE NCBI DIVISION

The Lister Hill Center is the basic research arm of the NLM.  I am the director
of the Machine Learning Project, which is part of the Computer Science Branch.
For more information about the Lister Hill Center and its many research
programs, write to

   Dr. Daniel Masys, Director
   Lister Hill Center
   National Library of Medicine
   Building 38A, Room 7N707
   Bethesda, MD 20894 USA


   3.SCHEDULLE OF FORTHCOMMING MEETINGS

I am involved with two upcoming meetings:

 1. The Biotechnology Computing Track of the Hawaii International Conference
    on System Sciences (HICSS-26).  It will be held Jan 5-8, 1993 in Maui,
    Hawaii, USA.  For further information about this meeting, send email to:

      hicss@uhunix.uhcc.hawaii.edu

 2. The first international conference on Intelligent Systems and Molecular
    Biology.  It will be held July 7-9, 1993 at the National Library of
    Medicine in Bethesda, Maryland, USA.  For further information about this
    meeting, send email to:

     ismb@nlm.nih.gov

   5.DIRECTORY OF AVAILABLE MODELING & SIMULATION SOFTWARE FOR PROTEINS AND
   DNA

I do not maintain or know of any such directory.  Well known programs include
MIDAS, CHARMM, and QUANTA.  There are many others.   This is not my area of
expertise.  You might try looking at the usenet group "bionet.software"

   6.MY CURRENT PROJECT HERE IS DEVELOPMENT OF ARTIFICIAL BLOOD VESSELS - THIS
   IS ASSOCIATED WITH SURFACE COATING BY PRESUMABLY ANTICOAGULANT PROTEINS
   IN THIS CASE THE HUMAN HISTIDINE RICH GLYCOPROTEIN.
   PROTEIN PURIFICATION IS AT LEAST FOR ME A NIGHTMARE - THOUGH THIS PROTEIN
   HAS BEEN ISOLATED 20 YEARS AGO, NO AUTOMATION AND CONVENIENT AVAILABLITY
   HAS BEEN ACHIEVED.


   7.MY IDEA: MODELING & SIMULATION OF THIS LINEAR PROTEIN OF 525 RESIDUES
   DOCKED ON THE WALL OF AN ATRIFICIAL POLYMER.  PARAMETERE SETTING:WALL CONFIG
URA
   TION,  BLOOD-WALL INTERFACE MODELLING, BLOOD FLOW IN BRANCHED VESSELS SIMULA
   TION.

This is an interesting problem, and quite computationally challenging.  You may
also be interested in the DOCK program from UCSF.  There is a good article on
this: Shoichet BK & Kuntz ID, "Protein docking and complementarity" J Mol Biol
1991 Sep 5;221(1):327-46.

Hope this is helpful.

               Larry

Lawrence Hunter, PhD.
National Library of Medicine
Bldg. 38A, MS-54
Bethesda. MD 20894
(301) 496-9300
(301) 496-0673 (fax)
hunter@nlm.nih.gov (internet)