Literature DB >> 3069963

Symposium overview. The Shell Conference on Computer-Aided Molecular Modelling.

G R Hays1, D P de Bruijn.   

Abstract

The 'Shell Conference on ...' series began in 1985 and meetings are held approximately twice a year. The idea behind the conferences is to bring together invited scientists from both universities and industry, and representatives from different Shell Research laboratories, to create a forum to discuss the future directions of the chosen research area. These meetings have embraced a wide range of topics of interest to Shell Research as a whole. This particular conference, organized by the Analytical Department of the Koninklijke/shell-Laboratorium, Amsterdam (KSLA), was held on 4-6 October, 1987 at Hoenderloo in the Netherlands. The aim was to review the state-of-the-art and to discuss the future of molecular modeling and design. The programme itself consisted of a series of presentations on prescribed topics, panel discussions, and software and hardware demonstrations. Many of the presentations given consisted of overviews, experiences, advice and predictions for the future. The panel sessions, which involved the speakers within that session and a discussion leader who summarised some of the points made in an introduction, encouraged even further discussion and speculation. This overview attempts to catch the flavour of the meeting and convey some personal views that were expressed and conclusions drawn.

Mesh:

Year:  1988        PMID: 3069963     DOI: 10.1007/bf01531991

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN: 0920-654X            Impact factor:   3.686


  11 in total

Review 1.  Molecular modelling in design of crop protection chemicals.

Authors:  B Odell
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

2.  Strategic approaches to drug design. I. An integrated software framework for molecular modelling.

Authors:  J G Vinter; A Davis; M R Saunders
Journal:  J Comput Aided Mol Des       Date:  1987-04       Impact factor: 3.686

3.  Crystallographic modelling.

Authors:  R A Driessen; B O Loopstra; D P de Bruijn; H P Kuipers; H Schenk
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

4.  Strategies for modelling of catalysts.

Authors:  C R Catlow
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

5.  Application of semi-empirical and ab initio quantum mechanical calculations.

Authors:  P von Ragué Schleyer
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

6.  Computer-aided molecular modelling: research study or research tool?

Authors:  A Dearing
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

7.  Free energy calculations by computer simulation.

Authors:  P A Bash; U C Singh; R Langridge; P A Kollman
Journal:  Science       Date:  1987-05-01       Impact factor: 47.728

8.  A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.

Authors:  P J Goodford
Journal:  J Med Chem       Date:  1985-07       Impact factor: 7.446

Review 9.  The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques.

Authors:  J Weber; P Fluekiger; P Y Morgantini; O Schaad; A Goursot; C Daul
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

10.  Solvent-accessible surfaces of proteins and nucleic acids.

Authors:  M L Connolly
Journal:  Science       Date:  1983-08-19       Impact factor: 47.728

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