An Isaac Newton Institute Focus Workshop

Predicting the Structure of Biological Molecules

26 April to 30 April 2004

Organisers: Dr Franca Fraternali & Dr R Goldstein (National Institute for Medical Research), Dr Willie Taylor (National Institute for Medical Research ).

in association with the Newton Institute programme entitled Statistical Mechanics of Molecular and Cellular Biological Systems

Programme | Participants

Theme of Conference:

The field of structural prediction of biological molecules is becoming mature enough to fulfill the expectations raised by structural genomics projects and we are witnessing a progressive merging of different prediction communities.

The development of new algorithms and software to facilitate the structural, functional and evolutionary interpretation of sequence data by means of different approaches will be presented and discussed.

Structure of the meeting

Monday 26 April 2004

    11:00 Coffee
    12:00 Introduction - WR Taylor
    12:15 Structural constraints on protein mutations - R K Sasidharan & C Chothia
    13:00 Lunch
    13:45 Protein-protein docking by global energy optimisation - J F Recio
    14:30 Fold usage on genomes and protein structure evolution - S Abeln
    15:30 Tea

Tuesday 27 April 2004

    10:00 Modelling/MD: Introduction
    10:15 Sequence-structure homology recognition - K Mizuguchi
    11:00 Coffee
    11:30 Modelling solvent forces - F Fraternali
    12:30 Lunch
    13:30 Determination of partially folded states of proteins at atomic resolution - M Vendruscolo
    14:30 Modelling interactions of regulatory peptides with DNA - A Chernova
    15:30 Tea
    16:00 Modelling & drug design - J Saldanha
    17:00 Case studies in assigning function from structure in structural genomics - J Watson

Wednesday 28 April 2004

    10:00 Ab initio/folding design: Introduction
    10:15 Ab initio modelling - D Burke
    11:00 Coffee
    11:30 Folds, knots & tangles - WR Taylor
    12:30 Lunch
    13:30 Identification of interacting sites in protein families - V Chelliah
    14:30 Rapper - M dePristo
    15:30 Tea
    16:00 Comparisons of sequence profiles - M Madera
    17:00 Prediction of Native Disorder in Proteins - D Jones

Thursday 29 April 2004

    10:00 Evolution: Introduction
    10:15 Minimalist protein models and evolution - B Blackburne
    11:00 Coffee
    11:30 Modelling molecular evolution: Gprotein coupled receptors - R Goldstein
    12:30 Lunch
    14:30 Mechanics of interfaces in a-helical super-coils - C Calladine
    15:30 Tea
    16:00 Discussion

Friday 30 April 2004

    10:00 Protein-Nucleic Acids: Introduction
    11:00 Coffee
    11:30 DNA binding sites - H Shanahan
    12:30 Concluding remarks

Further Information:


There is no registration fee but if you intend to come to the meeting please complete and return the online registration form, you will need to add the following code when completing the form (SMCW05). Please ensure you submit the form no later than 19 April 2004.


There will be no lunch provided, you will need to make your own arrangements.


A list of local Guest Houses is available here.

Travel and Local Information

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