Mathematical Methods for Protein Structure
Analysis and Design

Scientific Committee:
Prof. C. GUERRA (Università di Padova)
Prof. S. ISTRAIL (Sandia)
in Martina Franca (Taranto)  from 09/07 to 15/07 

Confirmed Lecturers:

Prof. Ken Dill
Department of Pharmaceutical Chem. - University of California, San Francisco
Simple approaches to Protein Structure Prediction. (4 hours)
Prof. Arthur Lesk
University of Cambridge Clinical School (GB)
Comparative Analysis of Protein Structures. (4 hours)
Prof. Michael Levitt
Department of Structural Biology, Stanford University School of Medicine
Bio-informatics and structural genomics.(4 hours)
Prof. John Moult
University of Maryland Biotechnology Institute
Contemporary Challenges in Protein Structure Prediction. (4 hours)
Prof. Haim Wolfson
Computer Science Department, School of Mathematical Sciences - Tel Aviv University
Geometric Computing in Structural Molecular Biology (4 hours)

Lectures and Seminars scheduling

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     Monday, July 10

 8:45 - 9:00  Welcome 
 9:00 - 10:00 Prof. Michael Levitt - Introducing molecular forces.
10:00 - 11:00 Prof. Michael Levitt - Simulation of protein and nucleic
                                     acid dynamics
11:00 - 11:20 Coffee Break
  
11:20 - 12:20 Prof. Ken Dill - Protein stability, aggregation, and mean-field
                               models
12:20 - 13:20 Prof. Ken Dill - Water and the hydrophobic effect 

        13:30 Lunch 

15:00 - 19:00 Homework and Seminar Sessions 

        20:00 Dinner


  Tuesday, July 11

 8:45 - 9:00 Welcome 
 9:00 - 10:00 Prof. John Moult - Comparative Modeling
10:00 - 11:00 Prof. Ken Dill   - New Computational methods for conformational
                                 searching
11:00 - 11:20 Coffee Break

11:20 - 12:20 Prof. Michael Levitt - Predicting protein structure
12:20 - 13:20 Prof. Michael Levitt - Bio-informatics and structural genomics

        13:30 Lunch 

15:00 - 16:00 Prof. Ken Dill - New Computational methods for conformational
                               searching
16:00 - 17:00 Prof. Ken Dill - Graph-theoretic methods for conformational
                               transitions

        20:00 Dinner


  Wednesday, July 12

 9:00 - 10:00 Prof. Arthur Lesk - Sequence-structure relationships in proteins.
10:00 - 11:00 Prof. Arthur Lesk - Genomics and proteomics

11:00 - 11:20 Coffee Break

11:20 - 12:20 Prof. Haim Wolfson - Computer Vision Motivated Algorithms for
                                   Structural Motif Detection in Proteins.
12:20 - 13:20 Prof. Haim Wolfson - Structural Alignment of Flexible Molecules.

        13:30 Lunch

        20:00 Dinner


  Thursday, July 13

 9:00 - 10:00 Prof. Ken Dill   - Graph-theoretic methods for conformational
                                 transitions
10:00 - 11:00 Prof. John Moult - Fold recognition

11:00 - 11:20 Coffee Break  

11:20 - 12:20 Prof. Arthur Lesk - Analysis, comparison and classification of
                                  protein structures
12:20 - 13:20 Prof. Arthur Lesk - Protein evolution. Conformational change in proteins

        13:30 Lunch 

15:00 - 17:00 Homework and Seminar Sessions

        20:00 Dinner

  Friday, July 14

 9:00 - 10:00 Prof. John Moult - Ab initio prediction
10:00 - 11:00 Prof. John Moult - Discriminatory functions.

11:00 - 11:20 Coffee Break

11:20 - 12:20 Prof. Haim Wolfson - Molecular Surface Representation and
                                   Critical Feature Extraction.

12:20 - 13:20 Prof. Haim Wolfson - Geometric Docking Methods.

        13:30 Lunch 

15:00 - 17:00 Homework and Seminar Sessions

20:00 Dinner

Workshop on Protein Structure

Martina Franca, Italy, July 15

Invited Speakers and timetable

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9:00 - 10:00   Invited Lecture
               
      Mary Ellen Bock (USA)
            Some Statistical Problems in Biotechnology

10:00 - 12:30

    1 J. R. Quine (USA)
            Protein Structures from solid state NMR: Mathematical
            and Technical Challenges

    2 A. Rossi, C. Micheletti, F. Seno and A. Maritan (Italy)
            Knolwedge-based self-consistent scheme to design proteins
            with a reduced number of amino acis classes.

    3 Claus Lundegaard, Thomas Nordahl Petersen, Morten Nielsen, Henrik Bohr,
      Jakob Bohr, Soren Brunak, Garry P. Gippert and Ole Lund (Denmark)
            Prediction of protein secondary structure at high accuracy
            using a combination of many neural networks

    4 Rolf Backofen (Germany)
            An Upper Bound for Number of Contacts in the HP-Model on the
            Face-Centered-Cubic Lattice (FCC): Applications and Results.

    5 Vasily Ramensky, Shamil Sunyaev and Peer Bork (Russia/Germany)
            Mapping non-synonymous single nucleotide polymorphisms onto
            proteins: from human genome variation to protein structure

12:30 Lunch 

2:30 - 3:30 Invited Lecture

      Andrea Califano (USA)
            Functional and Structural Genomics: moving from analysis to
            synthesis in the biological sciences

3:30 - 6:00

    6 Maricel Kann and Richard Goldstein (USA)
            Optimizing for success: a new score function for distantly
            related protein sequence comparison.

    7 Dean C. Adams and Gavin J. P. Naylor (USA)
            Assessing the structural similarity of proteins: a comparison
            of existing methods and geometric morphometric tecniques

    8 H.-O Bertrand, A.-S. Bessis, T. Galvez, J.P. Pin and F. Acher (France)
            Metabotropic glutamate receptor binding domain. A homology
            modeling study

    9 Yves-Henri Sanejouand (France)

   10 N. Kannan and S. Visheverhwara (India)
            A graph spectral algorithm to identify conserved features among
            topologically similar proteins

   11 F.Seno, C. Micheletti, J.R. Banavar and A. Maritan (Italy)
            An optimal procedure to learn effective amino acid  interaction
            potentials.

Mary Ellen Bock, Purdue University, USA
Andrea Califano, IBM Yorktown, USA

IMPORTANT DATES

Deadline for submission of abstracts to the workshop: March 15, 2000
Notification of acceptance: April 15, 2000

Electronic submission is encouraged. For an electronic submission, please attach your manuscript to an email and send it to either guerra@dei.unipd.it or to scistra@frodo2.cs.sandia.gov in one of the following formats: Postscript, PDF, or Microsoft Word.

Alternatively, two copies of an extended abstract (preferably two sided copies) can be submitted via regular mail to:

SORIN ISTRAIL
Sandia National Laboratories
P.O. Box 5800, Mail Stop 1110
Albuquerque, NM 87185-1110
(505) 845-7612

The extended abstract must not exceed 12 pages (using 11 point or larger font, with not less than one inch margins all around), including the bibliography and the figures.


This C.I.M.E. course is made possible thanks to the generous support received from: The European Commission, Division XII, TMR Programme "Summer Schools" Consiglio Nazionale delle Ricerche Ministero dell' Universita' e della Ricerca Scientifica e Tecnologica UNESCO-ROSTE, Venice Office.

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