Subject: CTC Workshop: Flexible Ligand Docking

From: Richard Gillilan <[email-masked]>
Date: Tue, 10 Feb 1998 08:33:59 -0500

***************** CORNELL THEORY CENTER *****************
  
                 Flexible Ligand Docking for Drug Design II
                            April 23-25, 1998
 
        *********************** WORKSHOP ************************
 
                     http://www.tc.cornell.edu/~richard

   The Cornell Theory Center will hold a workshop on the use of 
 Monte-Carlo methods for predicting the conformations of small ligands
 bound to proteins. Class size will be limited to 12 to allow each 
 participant their own SGI workstation. The workshop will be highly
 practical in nature, focusing on how to run the DockVision docking
 package, a Monte-Carlo-based docking code created at the University 
 of Alberta. The DockVision algorithm was very successful at the recent CASP2
 competition for structure prediction (http://PredictionCenter.llnl.gov/). 
 The format will be short lectures delivered by the authors of DockVision 
 interspersed with periods of laboratory time. Worked examples will be 
 provided for those who do not wish to bring their own data. A huge 
 variety of test ligands will be available via the NCI 3D structural 
 database (see http://epnws1.ncifcrf.gov:2345/dis3d/3Ddatabase/dis3d.html).
 
 An experimental virtual reality interface to RESEARCH (part of the 
 DockVision package) will be available for use in the Theory Center's 
 Visual Insight Zone, a state-of-the-art immersive interactive graphics 
 environment. 
 
 Speakers:       Trevor Hart and Steven Ness
                 Department of Medical Microbiology and Immunology
                 University of Alberta, Canada
 
                 Richard Gillilan
                 Cornell Theory Center
                 Ithaca, NY 
 
 The workshop will cover
 
    o Molecular force fields: a practical guide
      (including an intro to the CTC's new forcefield
       assignment and simulation software that uses the
       Merck Molecular Force Field (MMFF94))
 
    o Introduction to molecular docking
 
    o Analysis of data and prediction
 
    o Docking with Genetic Algorithms

    o Database screening
 
    o Virtual reality hands on

 Participants are encouraged to bring their own data sets. Consulting
 staff will be available to assist researchers in their projects.
 Licenses for academic or corporate use of the DockVision package 
 may be purchased from the authors. Contact Trevor Hart 
 ([email-masked]) for details.

   Accommodations
  
   Attendees are responsible for their own hotel reservations and meals.
   Paid parking is available on campus, but walking or use of the shuttle or
   bus service, where available, is recommended. We have reserved a block
   of rooms at the Best Western. If you want one, tell them you are with
   the "Theory Center Docking Workshop". Rooms can only be held until
   April 1 without credit card info. Cancellations must be made before
   4pm April 22 to avoid penalty.

   Best Western University Inn (about 1 mile)
   East Hill Plaza, Rt. 393 and Judd Falls Road, Ithaca
   607/272-6100
   FAX: 607/272-1518

   Sheraton Inn (3mi)
   One Sheraton Drive, Ithaca
   607/257-2000
   FAX: 607/257-3998
  
   Statler Hotel   (walking distance)
   Cornell University Campus
   607/257-2500
   FAX: 607/257-6432
  
   Collegetown Motor Lodge    (walking distance)
   312 College Avenue, Ithaca
   607/273-3542, 800/745-3542
   FAX: 607/272-3542
    
  To Apply
  
  Due to restricted space, registration for this workshop is limited.
  The completed application form, along with payment, must be received 
  by Thurs March 27, 1998. Applications will be accepted after this date 
  if openings still remain. Local researchers may charge the registration
  fee to the appropriate Cornell University account number. Applications 
  which do not include payment cannot be accepted. Payment checks will 
  be returned promptly to applicants not accepted due to over-enrollment. 
 
  Payment scale, payable to Cornell University:
  
  Academic participants:  $250
  CTC corporate partners: $450
  Corporate participants: $600
 
  Notification will made as soon as possible after we receive your 
  application and payment. 

  -------------------------------------------------------------------------
  
   REGISTRATION FORM
   Flexible Ligand Docking 98
  
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   -------------------
 
   This application form and payment must be received by March 27, 1997
 
   Send to:
  
   Carol Christofferson
   Cornell Theory Center
   Frank H.T. Rhodes Hall
   Ithaca, NY  14853-3801
   (607) 254-8610
   [email-masked]
  
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   their respective companies.