Cambridge Science Park
  Accelrys Software Inc.

  • Accelrys European Headquarters
    Cambridge Science Park
    334 Cambridge Science Park
    CB4 0WN

Accelrys Science Forum 2007

December 7, 2007.

  • Gareth WILDEN (Department of medicinal chemistry, AstraZeneca R & D Charnwood, Loughborough, Leicestershire, UK) - "GA: PP Using Pipeline Pilot as a Genetic Algorithm"
  • Darren FAYNE, Tim JAMES, Andrew KNOX, Giorgio CARTA, David G. LLOYD (Molecular Design Group, School of Biochemistry and Immunology, Trinity College Dublin, Irlanda) - "High-throughput virtual screening drug discovery"
  • Tim CLARK (Centre of Computational Chemistry, Friedrich-Alexander University, Erlangen, Nürnberg, Germania, Centre for Molecular Design, University of Portsmouth, Portsmouth, UK, Editor-in-Chief, Journal of Molecular Modeling, Springer, Germany) "Surface-Based in silico Techniques"
  • Peter HAYNES (Materials and Physics Department, Imperial College London) - "Linear-scaling Density-functional Theory for Life Sciences"
  • C. M. Venkatchalam (Researcher, Accelrys) - "A Rational Approach to Receptor-flexible Docking: Method and Validation Results"
  • James ELLIOTT (Materials Modelling Group, Department of Engineering, University of Cambridge) - "A Semi-Empirical Molecular Orbital Study of Fullerene-Encapsulated Mo-S/Mo-O Nanoclusters"
  • Andrei GUSEV (Researcher, MatSim GmbH Zürich; Professor, Department of Materials, Swiss Federal Institute of Technology Zürich) - "Finite Element Approaches to Mesoscopic Materials Modelling"
  • Sam FRENCH (Senior Scientist, Johnson Matthey) - "Modelling Reactions at the Active Sites of Chiral Ruthenium Catalysts using Density Functional Theory"
  • Asen ASENOV (Device Modelling Group, Department of Electronics and Electrical Engineering, Glasgow University) - "Simulation of Atomic Scale Effects in Nano-CMOS Devices"
  • Stephen TODD (Product Manager, Accelrys) - "Future Developments in Materials Studio 4.2"
  • Patricia GESTOSO-SOUTO (Senior Scientist, Accelrys) - "New Science in Contact Research Services: Case Studies, SIG's and Recent Initiatives"
  • Richard GILBERT (Principal Scientist, e2v Biosensors) - "Versatile Biosensor Labels"
    Hands-on sessions
  • ***, Accelrys Discovery Studio® (Based on extensive interaction with customers, Discovery Studio 2.0 includes a profusion of new science aimed to deliver the most complete package of modeling and simulation tools for drug discovery available. Included are innovative algorithms for rational flexible docking, fragment-based design and activity profiling, providing ground breaking capabilities only available in Discovery Studio 2.0. Access new functionality for protein-protein docking, pK prediction for proteins, enhanced antibody modeling, QSAR, and more. Built on the SciTegic Pipeline Pilot open operating platform, Discovery Studio 2.0 is an infinitely extensible virtual discovery environment that allows you to integrate any tool you need to create solutions that are uniquely tailored to fit your research process.)
  • ***, Accelrys Materials Studio® (A comprehensive suite of modeling and simulation solutions for studying chemicals and materials, including crystal structure and crystallization processes, polymer properties, catalysis, and structure-activity relationships. Materials Studio® is a software environment that brings the world's most advanced and validated materials simulation technology to desktop computing, solving key problems throughout the R&D process. Offering advanced visualization tools and access to the complete range of computational materials science methods, Materials Studio is designed for structural and computational researchers in chemicals and materials R&D who need to perform expert-level modeling and simulations tasks in an easy-to-learn yet powerful environment.)
  • Acknowledgment