Applications of
Cheminformatics & Chemical Modelling
to Drug Discovery
Abstracts



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Abstracts (Autumn InterAction Meetings 2005)
SWISS-MODEL Server and Repository: Web based resources for comparative protein structure modeling and their application in drug discovery, Torsten Schwede, University of Basel
ZINC web services - providing 3D structures of purchasable compounds for virtual screening to humans and machines, John Irwin, UCSF
Investigating chemical trends in the context of ligand-protein complexes by using on-line data analysis directly on the web, Dimitris Dimitropoulos, European Bioinformatics Institute
Identification of biological units in protein crystals, Eugene Krissinel, European Bioinformatics Institute
Search-and-query Information System for the Study and Discovery of Novel Agents in the Treatment of Cancer, David Covell, National Cancer Institute
Pubchem, Steve Bryant, NCBI
Open Archives as a Route for the Capture, Dissemination and Access to Chemical Information, Simon Coles, University of Southampton
High-performance Applications Based on Web Services: It's Not an Oxymoron. The Use of Web Services in the ABCD Drug Discovery Platform., Dmitrii N. Rassokhin, Johnson & Johnson PR & D, LLC
Web enabling technology for the design, enumeration, optimization and tracking of compound libraries, Brad Feuston, Merck
A Web-based Chemoinformatics System for Drug Discovery, Brett Tounge, Johnson & Johnson
Abstracts (Web-based Conference Session, Spring 2005); Seminars available on website
MSDmotif: A Database Search and Retrieval System for the Analysis and Viewing of Protein Structure Motifs, Adel Golovin, European Bioinformatics Institute
Upstream analysis of gene expression data: Reasoning microarray experiments, Alexander Kel, BIOBASE GmbH
Molecular similarity searching via a freely accessible web interface using the MOLPRINT 2D approach, Andreas Bender and Robert C. Glen, University of Cambridge
A Web Interface to Neural Network Prediction of 1H NMR Chemical Shifts, João Aires-de-Sousa, Universidade Nova de Lisboa
Computer-aided Prediction of Biological Activity Spectra as a way to creating new effective and safe medicines, Vladimir Poroikov, Institute of Biomedical Chemistry of Rus. Acad. Med. Sci.
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