Subject: Chambery Meeting - 2nd Circular

From: <[email-masked]>
Date: Tue, 6 Jan 1998 19:35:33 +0100 (NFT)

_______________________________________________________________________
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                        European Conference

                                on

             COMPUTATIONAL CHEMISTRY AND THE LIVING WORLD: 

                       FROM SEQUENCE TO FUNCTION. 

               Chambery (French Alps), 20-24 April, 1998

                           Organised by the

       Physical Chemistry Division, French Chemical Society (SFC)
            Bunsen-Gesellschafft fur Physikalische-Chemie, 
        Faraday Division of the Royal Society of Chemistry (RSC),
                    Division di Chimica Fisica (SCI),
                       French Biophysical Society.

                  International Scientific Committee:

 J.C. Smith (CEA-Saclay, Chairman); R. Botter (DCP Paris), secretary; 
 J. Brickmann (TH Darmstadt); J.E. Dubois (U. Paris VII);  J. Garnier 
 (INRA-Jouy);  M. Karplus (U. Strasbourg);  R. Lavery  (IBPC, Paris); 
 B. Maigret (U. Nancy); C. Chipot (U.Nancy); G. Richards (U. Oxford); 
 E. Soulie  (CEA-Saclay);  J. Tomasi (U. Pisa);  C. Troyanowsky  (DCP 
 Paris).

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                            SECOND CIRCULAR

_______________________________________________________________________

A - SCOPE OF THE MEETING
    ____________________

    The results of the genome projects are expected to lead to a scien-
    tific revolution in the beginning of the next century. The complete 
    gene sequences of organisms of several different levels of develop-
    ment,  including  Homo Sapiens,  will be  available.  This enormous 
    amount of genetic information will be in the form of nucleotide se-
    quences.  The information present in  a gene sequence is translated 
    in the cell into a protein  sequence.  This sequence determines the 
    way the protein folds into  a three-dimensional architecture, which 
    confers biological function (catalysis, recognition, etc.). 

    The question arises as to how to exploit the genetic information as 
    effectively as possible.  To do this will require  an understanding 
    of the processes of translation of the genetic information from se-
    quence  to structure and function.  Both theory  and experiment are 
    expected to play major roles in  obtaining this understanding.  The 
    meeting in Chambery will focus on the role of computational chemis-
    try in the activity that will be sparked by the genome results. How 
    can numerical calculation help us to understand  and exploit genome 
    sequences ?  How can modelling and simulation help in understanding 
    how amino-acid sequence  is translated  into three-dimensional bio-
    logical structure, the functional interactions of  these structures 
    and the effect of engineered modifications ?   

    The meeting will be covering  the following topics,  organised into 
    three themes: sequence analysis, biomolecular structure and folding 
    and biomolecular function.  Research into the chemistry of biologi-
    cal macromolecules requires close cooperation between theorists and 
    experimentalists. In the present meeting we hope to attract  scien-
    tists from both fields. We have invited a number of leading experi-
    mentalists  to give lectures,  and hope to emphasize the broad com-
    plementarity  between theory  and experiment in the lectures rather 
    than specialized discussion of theoretical methodology. 

    The meeting  is expected  to be of  interest to  researchers in all 
    branches of computational chemistry, as well as  structural and mo-
    lecular biologists  and biochemists.  The consequences for industry 
    of success in the endeavours discussed above are enormous, and this 
    has been realised in several drug companies that  have set up inte-
    grated  computational/experimental  groups  on  sequence-structure-
    function relationships. 

B - PROVISIONAL PROGRAMME
    _____________________

    MONDAY APRIL 20-th
    __________________

               8.45-9.15 Welcome.

             THEME 1: SEQUENCES
             __________________

              9.15-10.00 Jean-Michel Claverie (Marseille)  "Analysis of 
                         gene sequences"  

             10.00-10.30 Pause + Exhibition. 

             10.30-11.15 Antoine Danchin (Paris) "The Genome Projects".  

             11.00-12.15 Three short talks

             14.00-14.45 Cyrus Chothia (Cambridge) "Patterns in Protein 
                         Structure"

             14.45-15.15 Charles Brooks (Scripps Institute) "Simulation 
                         of Protein Folding"
             
             15.15-15.45 Two short talks. 

             15.45-16.15 Break.

             16.15-17.15 Oral Poster presentations.

             17.15-18.15 Poster session.

                   18.30 Reception by the Mayor of Chambery.

    TUESDAY APRIL 21-st 
    ___________________

             THEME 2: FOLDING AND STRUCTURE   
             ______________________________

              9.00- 9.45 Mannfred  Sippl (Graz)  "Molecular  forces  in 
                         protein folding and prediction." 

              9.45-10.45 Three short talks         

             10.45-11.30 Pause + Exhibition.

             11.30-12.15 Michael Hecht  (Princeton)  "De Novo  Proteins 
                         from Designed Combinatorial Libraries."  

             14.00-14.45 Eugene Shakhnovitch  (Harvard) "Lattice Models 
                         of Protein Folding" 

             14.45-15.45 Three short talks.

             15.45-16.15 Break.

             16.15-17.15 Oral poster presentations. 

             17.15-18.15 Poster session.

    WEDNESDAY APRIL 22-nd
    _____________________

              9.00- 9.45 Wilfred  van  Gunsteren  (Zurich)  "Reversible 
                         Protein Folding in Solution by MD Simulation" 

              9.45-10.30 Pause + Exhibition.

             10.30-11.15 Three short talks.

                         AFTERNOON FREE:

                       - Ski trip

                       - Wine trip

                       - Visit of the city

    THURSDAY APRIL 23-rd
    ____________________

              9.00- 9.45 Chris Dobson  (Oxford) "Nuclear Magnetic Reso-
                         nance in Protein Folding" 

              9.45-10.30 Pause + Exhibition.

             10.30-11.30 Three short talks.

             11.15-12.15 Eric Westhof (Strasbourg)  "Simulation of Nuc-
                         leic Acid Structure"  

             THEME 3: BIOMOLECULAR INTERACTIONS AND FUNCTION
             _______________________________________________

             14.00-14.45 David Chandler (Berkeley)  "Statistical Mecha-
                         nics of Biological Interest" 

             14.45-16.00 Pause + Exhibition.

             15.30-16.30 Three short talks.

                   20.00 Banquet and Blues concert  "The Baskerville's 
                         Blues Band"

    FRIDAY APRIL 24-th
    __________________

              9.00- 9.45 Harel Weinstein (New York)  "From  sequence to 
                         molecular mechanism  in G-protein  coupled re-
                         ceptors:  structural   motifs  as   functional 
                         microdomains." 

              9.45-10.30 Pause + Exhibition.

             10.30-11.30 Three short talks.

             11.30-12.15 Klaus Schulten (Illinois)  "Evolution of effi-
                         cient light harvesting in photosynthesis - One 
                         goal, many solutions."  (this talk will be mo-
                         ved to eariler in the week). 

             14.00-14.45 Wayne C. Guida (Novartis Pharmaceutical) "Drug 
                         Design"

             14.45-16.30 Oral presentations and final discussion.

_______________________________________________________________________

                            CALL FOR PAPERS

_______________________________________________________________________

Attendents who want to present  a poster or  make an oral  presentation 
should send a one-page abstract. Authors who would like to make an oral 
presentation  are asked  to send  their abstract BEFORE  January 10-th, 
1998. 

Oral presentations will be selected by the  scientific committee at the
end of January 1998,  and  the authors  of the selected papers  will be 
informed at the begining of February 1998.

_______________________________________________________________________

                    PUBLICATION OF THE PROCEEDINGS

_______________________________________________________________________

The proceedings of this meeting will be published as a special issue of
Theoretical Chemistry Accounts (formerly Theoretica Chimica Acta), Edi-
ted by R. Lavery  and  J. Tomasi.  Principal  speakers are  invited  to  
prepare full articles, that present  their  recent results or  give  an  
overview  of  their  contributions.  Full articles can contain up to 24 
double-spaced pages of text  plus figures. Short talks and posters will 
be published in the form of letters, which can contain up to 12 double-
spaced pages. Speakers  are urged to  bring their manuscripts with them 
to  the meeting  to enable  rapid refereeing. The ABSOLUTE DEADLINE for 
submissions will be March 31-st 1998.  Instructions  for authors can be 
obtained from the Web site:

http://link.springer.de/link/service/journals/00214/  

or from any copy of "Theoretical Chemistry Accounts". 

It should  be  noted  that  colour figures  will be  published  free of 
charge, and that it is possible  to add  supplementary  material in the 
form of web archives.

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                         PRACTICAL INFORMATION

_______________________________________________________________________

LOCATION: The meeting will be held  at the Centre de Congres Le Manege, 
          331 rue de la Republique, 73000 Chambery.

          The center is in downtown Chambery,  within easy walking dis-
          tance of  the railway station  and numerous bars,  brasseries 
          and restaurants that serve breakfast, lunch and dinner. 

ACCESS:   Chambery can be conveniently reached by air road or rail. The 
          high speed TGV  train runs  directly to  Chambery in  3 hours 
          from Paris Gare de Lyon,  or Paris Charles de Gaulle airport.

          Railway information and reservation: 
          SNCF: Tel. 33.8.36.35.35.35

          Internal flights exist between Paris Orly  and  Chambery-Aix-
          les-Bains airports (1 hour 10 mins). 

          N.B. Transfer between  Charles de Gaulle and Orly takes up to 
               2 hours by train. 

          Chambery can also be reached  by train from Geneva airport (1 
          hour 15 mins) or bus from Lyon Satolas airport (1 hour).  

          Access by car by toll autoroute  from Lyon  and  Geneva  (A43) 
          and Grenoble and Italy (A41). 

_______________________________________________________________________
_______________________________________________________________________

Participants should fill out the REGISTRATION/EVENTS  AND  ACCOMODATION 
FORMS and send them to the SEPARATE ADDRESSES indicated.

_______________________________________________________________________
_______________________________________________________________________

_______________________________________________________________________

                        CONFERENCE REGISTRATION

_______________________________________________________________________

Please, send the completed registration form AS SOON AS POSSIBLE and by 
REGULAR MAIL with payment fee to the Conference address. 

REGISTRATION FEES(*)
____________________

____________________________________________________________________

                          Before March 15-th       After March 15-th
____________________________________________________________________

Regular price                  2400 FF                   2800 FF

Members of the                 1800 FF                   2200 FF
Organizing Societies

Students                       1300 FF                   1700 FF
____________________________________________________________________

(*) Registration fees include the conference dinner and concert for the 
    participants

o METHOD OF PAYMENT 
  _________________

All payments must be in FRENCH FRANCS. 

Bank order and bank draft payable to: 

                    DCP/SFC, Congres de Chimie Informatique
                    BNP Saclay
                    Account N  30004  01788  0010000693  27

N.B. We have already received a large number of preliminary inquieries. 
     Places at the meeting are limited to 320 and will be  allocated on 
     a first come first served basis.

o HOTEL ACCOMMODATION
  ___________________

Hotels of different price categories  have been reserved for the Confe-
rence period.

o DAILY RATES OF HOTEL ROOMS
  __________________________

_____________________________________________________________

Hotel category          Single room               Double room

                        1 person                    2 persons
_____________________________________________________________

3-star Hotel            400 FF                         450 FF

2-star Hotel            250 FF                         300 FF

1-star Hotel            180 FF                         220 FF
_____________________________________________________________

(Price in French Francs, taxes, services and breakfast included)

o STUDENT ACCOMMODATION
  _____________________

Room 20 m2, 2 persons                     220 FF/room

Room 30 m2, 3 persons                     285 FF/room

Room 35 m2, 4 persons                     340 FF/room

(Price per room and per day, breakfast included, towel upon request)

o HOTEL AND STUDENT ROOM RESERVATIONS
  ___________________________________

Please, reserve by completing the enclosed  ACCOMMODATION FORM. All ac-
commodation will be allocated in the  order of receipt of registration. 
If rooms are unavailable at your  requested choice  of hotel  category, 
the closest available rate  will be assigned.  You will receive written 
confirmation and a hotel voucher stating the name and adress of the ho-
tel booked as soon as your accommodation form and deposit have been re-
ceived by "BRIGITTE DEBAS, ITC".

o SHARING ROOM
  ____________

For those, who intend to share a room with an other registrant,  please 
indicate roommate's name in accommodation form.

o BOOKING PAYMENT
  _______________

DEPOSIT, which include processing  charges received by "BRIGITTE DEBAS, 
ITC"  must accompany your accommodation form.  This deposit  (excluding 
the booking fees)  will be deduced from your hotel bill when you check-
out.

NO RESERVATION will be confirmed until your payment is received.

All payment must be in French Francs only:

        Bank transfer and bank draft payable to:

        BRIGITTE DEBAS, ITC
        Account N  : 18006-00010-00606453050-57
        Bank: Credit Agricole de la Savoie.

        and mailed with Accommodation Form to:

        BRIGITTE DEBAS, ITC - Cité de l'Entreprise
        Boulevard Barrier   73100 Aix les Bains France

Note: In order to avoid any trouble in money transfer, a copy of remit-
      tance invoice  or receipt should  be sent  with your Accomodation 
      Form.

o CANCELLATION AND REFUND
  _______________________

Deposit (minus 85 FF processing charges) will be refunded only by "Bri-
gitte Debas,  ITC"  on receipt  of a written cancellation  sent only to 
"Brigitte Debas, ITC"  (by fax N  33 79 88 11 36 or letter) and not di-
rectly  to the  hotel before March 20-th,  1998. Any cancellation after 
this date will not be refunded.

o EVENTS, EXCURSIONS AND TOURS
  ____________________________

    * Evening events
      ______________

    Reception by the Mayor of Chambery

    Participants are invited to attend a free reception,  organized  by 
    the Mayor of Chambery on Monday evening, April 20-th, at 6.30 PM.

    * Conference dinner
      _________________

    The official Conference  Dinner will be held  at the Conference site 
    "Le Manège" on Thursday, April 23rd. A concert of CHICAGO BLUES will 
    be given by THE BASKERVILLES BLUES BAND - winners of Polyphonie Ile-
    de-France Blues contest. Dinner and Concert are included in the fees 
    for the participants and will be 280 FF per accompanying person.

    * Excursions and Tours
      ____________________

    WEDNESDAY AFTERNOON (22-nd April)  will be  reserved for trips.  We 
    are planning five types of trip. 

    Accompanying persons are welcome to come.

    Tour tickets can be paid with room reservation or will be available 
    at the registration desk in "Le Manège". 

    1 - HIGH-ALTITUDE ALPINE SKI TRIP TO COURCHEVEL
        ___________________________________________

        300 FF per person

        Price includes transport and afternoon ski pass.  Ski boots can 
        be rented in Chambery.            

    2 - WINE ROAD
        _________

        160 FF

    3 - VISIT OF CHAMBERY
        _________________

        55 FF

    4 - LAC DU BOURGET
        ______________

        165 FF

    5 - CHAMONIX - MER DE GLACE
        _______________________

        450 FF

_______________________________________________________________________

                           REGISTRATION FORM

_______________________________________________________________________

Computational Chemistry and the Living World, from Sequence to Function
Chambery, april 20-24, 1998

To be returned to:  

                           Mr. Rene Botter,
              Computational Chemistry and the Living World,
                    Laboratoire de Chimie Physique,
                        11 rue P. et M. Curie,
                              75005 PARIS
                                France

 .................................................................>8....

REGISTRATION FORM
_________________

NAME: _________________________________________________________________

ADDRESS: ______________________________________________________________

         ______________________________________________________________

         ______________________________________________________________

TELEPHONE: ____________________________________________________________

FAX: __________________________________________________________________

E-MAIL: _______________________________________________________________

REGISTRATION FEES 
_________________

(Conference Dinner and Concert included)

____________________________________________________________________

                          Before March 15-th       After March 15-th
____________________________________________________________________

Regular price                  2400 FF                   2800 FF

Members of the                 1800 FF                   2200 FF
Organizing Societies

Students                       1300 FF                   1700 FF
____________________________________________________________________

METHOD OF PAYMENT 
_________________

All payments must be in FRENCH FRANCS. 

Bank order and bank draft payable to: 

                    DCP/SFC, Congres de Chimie Informatique
                    BNP Saclay
                    Account N  30004  01788  0010000693  27

I WISH/DO NOT WISH TO PRESENT A POSTER ________________________________

Participants wishing to present a  poster should send a  hard copy of a 
one-page abstract  to Rene Botter, at the above address, before January 
10-th 1998. 

I WISH/DO NOT WISH TO MAKE A 20 MINUTE ORAL PRESENTATION ______________

Authors  of all  posters presented  will be invited  to make very short 
oral introductions to their posters. If you wish to be considered for a 
longer presentation, please indicate this above.

 .................................................................>8....

 .................................................................>8....

ACCOMMODATION, EVENTS AND TOUR FORM
___________________________________

To be completed and returned with payment to:

                    ITC-Cité de l'Entreprise
       Boulevard Robert Barrier, 73100 Aix les Bains - France

NAME (Mr, Ms) _________________________________________________________

FIRST NAME ____________________________________________________________

TITLE _________________________________________________________________  

COMPANY/INSTITUTION ___________________________________________________

                    ___________________________________________________

ADRESSS _______________________________________________________________

        _______________________________________________________________

        _______________________________________________________________

POSTAL/ZIP CODE ___________________ CITY ______________________________          

COUNTRY ___________________________

TELEPHONE _________________________  FAX ______________________________

E-MAIL ________________________________________________________________

ACCOMPANIED BY:

NAME __________________________________________________________________

FIRST NAME ____________________________________________________________

DATE OF ARRIVAL _______________________________________________________

TIME __________________________________________________________________

DATE OF DEPARTURE _____________________________________________________

TIME __________________________________________________________________

MEANS OF TRANSPORTATION: Car _________  Train __________  Air _________

ACCOMMODATION REQUIRED:

1 person   _________  2 persons(*)  ___________

Double bed _________  2 single beds ___________

Rates per Room and per Night. Deposit includes 85 FF processing charges 
received by "ITC":

____________________________________________________________

Category              Price                          Deposit

____________________________________________________________

3-star hotel          350 FF to 500 FF                485 FF

2-star hotel          250 FF to 330 FF                335 FF

1-star hotel          180 FF to 220 FF                265 FF

2-bed room            220 FF/ room                    305 FF

3-bed room            285 FF/ room                    370 FF

4-bed room            340 FF/ room                    425 FF

____________________________________________________________

(*) If you wish  to share  a room  with another  (other) registrant(s),
    please indicate:

Name: Mr / Ms _________________________________________________________

      Mr / Ms _________________________________________________________

      Mr / Ms _________________________________________________________

      Mr / Ms _________________________________________________________

              TOTAL HOTEL DEPOSIT __________________________________ FF

EVENT AND TOUR FORM
___________________

EVENING EVENT:

Conference Dinner:

Thursday, April 23-rd          280 FF x _________ acompanying person(s)

                               _____________________________________ FF

EXCURSIONS AND TOURS:

___________________________________________________________________

Ref.  Name                 Price    Number of Persons         Total

___________________________________________________________________

T1    Chambery              55 FF x ________________     _______ FF

T2    Lac du Bourget       165 FF x ________________     _______ FF

T3    Ski-Courchevel       300 FF x ________________     _______ FF

T4    Wine road            160 FF x ________________     _______ FF

T5    Chamonix-Mont Blanc  420 FF x ________________     _______ FF

___________________________________________________________________

                           TOTAL ACCOMMODATION        ______________ FF

                           TOTAL CONFERENCE DINNER    ______________ FF

                           TOTAL EXCURSIONS           ______________ FF

                           ____________________________________________

                           TOTAL AMOUNT               ______________ FF

PAYMENT (in French Francs only)
_______________________________

o CREDIT CARD:

NAME __________________________________________________________________

EXPIRATION DATE _______________________________________________________

CARD NO. ______________________________________________________________

DATE AND SIGNATURE ____________________________________________________

o BANK CHEQUE AT THE ORDER OF "ITC - Congrès":

       Bank Order or Bank Draft payable to:  ITC-Congrès

       Account No: 86 06 59 80 051

       Bank: CREDIT AGRICOLE DE LA SAVOIE

       Code: 18106 - 00810/44

Only application  received with  this accommodation and tour form toge-
ther with the payment of the amount will be considered.

DATE ____________________________________

NAME AND SIGNATURE OF PERSON RESPONSIBLE ______________________________

                                         ______________________________

 .................................................................>8....

_______________________________________________________________________
_______________________________________________________________________

_______________________________________________________________________

Chris Chipot                         
Laboratoire de Chimie Theorique          Phone:      (33) 3-83-91-25-96
U.R.A. C.N.R.S. No 510                   Fax:        (33) 3-83-91-25-30
Universite Henri Poincare - Nancy I       
B.P. 239
54506 Vandoeuvre-les-Nancy Cedex         E-mail: [email-masked]

`The light shines through the darkness
 and the darkness has not overcome it'
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