Subject: Workshop

From: Linda Callahan <[email-masked]>
Date: Mon, 26 Jul 1999 16:06:07 -0400

The Parallel Processing Resource for Biomedical Scientists at the Cornell
Theory Center (CTC) will hold a workshop on Nov 15-16 at Cornell that will
provide an in-depth description and hands-on experience with the software
packages that the resource just released to the public domain (see
http://www.tc.cornell.edu/reports/NIH/resource/CompBiologyTools/). 

Since the capacity of the modeling class is limited, we may be unable to
accept all applications. Therefore, please register early at
http://www.tc.cornell.edu/Events/1999/CompBiologyTools/.

The registration is free for academic users and is $750 for participants
>from for-profit organizations; $500 for members of CTC's Corporate Program. 
 
Each lecture will be followed by hands-on experiment of the participans in an
lab equipped with SGI workstations. 
 
Tentative list of lectures:
 
Jaroslaw Meller. Sequence and structure alignment and linear optimization
of potentials and score function. Optimization of gap energies. Overview of
LOOPP - a program for Linear Optimization Of Protein Potentials
 
Jooyoung Lee. Conformational sampling, reduced and detailed representation
of proteins, CASP3  results, the program CSA  - Conformational Space
Annealing.
 
Daniel Ripoll and Czarek Czaplewski. Analysis of torsional space and energy
calculations of protein conformations. Application of ECEPPAK and ANALYZE.
Global conformational searches using MCM and EDMC
 
Jarek Pillardy. Deformation-based global optimziation (SCBDBM)  and
applications to crystals and peptides. Examples will include global
optimization of crystals of small molecules and for polyalanine with the
program UNRE.
 
Ron Elber. Introduction to the structure of MOIL. Possible applications,
limitations and advantages. Future directions of the code.
 
Veaceslav Zaloj. The NT environment of MOIL.
 
Veaceslav Zaloj. Computations of long-time dynamics of biological molecules
by stochastic path optimization. The parallel use of the STO program in MOIL. 
 
Jaroslaw Meller. The use of Locally Enhanced Sampling to explore diffusion
pathways in the protein myoglobin.