Applications of Cheminformatics & Modelling to Drug Discovery (US meeting) (eCheminfo 2005 Inter)

Venue: Bryn Mawr College

Location: Philadelphia, Pennsylvania, United States

Event Date/Time: Oct 11, 2005 End Date/Time: Oct 12, 2005
Registration Date: Sep 30, 2005
Early Registration Date: Aug 31, 2005
Abstract Submission Date: Aug 31, 2005
Paper Submission Date: Nov 30, 2005
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Our Autumn meetings will be taking place in Philadelphia, US on 11-12 October and in Basel, Switzerland on the 9-10 November

eCheminfo US Autumn 2005 InterAction Meeting

The eCheminfo US Autumn 2005 InterAction Meeting will be taking place at Bryn Mawr College, Philadelphia, US, 11-12 October. Program information and registration is available through the eCheminfo website at

The theme of the meeting is the application of cheminformatics and chemical modelling to drug discovery. The format of the meeting will emphasize significant time for discussion and question time and will include the following sessions:

Virtual Screening, Docking & Scoring, chaired by Max Cummings (Johnson & Johnson Pharmaceutical Research & Development, LLC); Web-based Services in Drug Design, chaired by Marc Nicklaus, (National Institutes of Health); Protein Folding, Misfolding & Aggregation: Applications to Disease, chaired by Nikolay V. Dokholyan (University of North Carolina); New Developments in Biophysical Applications of Quantum Mechanics, chaired by Ken Merz (University of Florida) and Lance Westerhoff (QuantumBio); Simulation of Membranes & Ion Channels, chaired by Richard Pastor (FDA) & Michael Klein (University of Pennsylvania) and Drug Discovery Innovation, chaired by David Mosenkis

Invited Speakers and Discussion Leaders include:

Emanuele Perola (Vertex), Mark McGann (Openeye), John Irwin (UCSF), Renee DesJarlais (Johnson & Johnson PRD), Willem Nissink (Cambridge Crystallographic Data Centre), Brad Feuston (Merck), Brett Tounge (Johnson & Johnson PRD), Steve Bryant (NCBI), David Covell (NCI), Andrew Miranker (Yale University), David Teplow (David Geffen School of Medicine at UCLA), Ron Wetzel (University of Tenessee Medical Center), Michael Thorpe (Arizona State University), Feng Ding (University of North Carolina), Mike Pitman (IBM), Jeff Klauda (NIH), Emad Tajkhorshid (Beckman Institute, University of Illinois at Urbana-Champaign), Richard Pastor (FDA), Preston Moore (USIP), Martin Peters (Penn State), Darrin York (University of Minnesota), Victor Lobanov (Johnson & Johnson PRD), Jeff Wiseman (Locus Pharmaceuticals), James H Wikel (Coalesix), Dmitrii Rassokhin (Johnson & Johnson PRD), Richard Friesner (Columbia University), Jiali Gao (University of Minnesota), Ramkumar Rajamani (Bristol-Myers Squibb), G. Scott Lett (Bioanalytics Group)

The eCheminfo meetings will have exhibitor tables for software demos and evening poster sessions; posters will also be available for viewing through the website. Posters can be on any informatics or modeling topic of relevance to drug discovery. Those who cannot make the meetings are also able to register to access all presentations, posters and discussions through the eCheminfo website. Registrants for the US meeting will also be able to access the full proceedings with audio of the equivalent European meeting being held in Basel, Switzerland 9-10 November.

Poster Abstracts (ca. 300 words) should be sent to eCheminfo at

We will select a number of contributed talks to be presented at the meetings based on abstracts submitted. Papers submitted related to poster presentations or talks will be refereed for consideration for publication in a special Drug Discovery issue of the Molecular Simulation journal. Deadline for paper submission: 31 October for US meeting; 30 November for European meeting posters.

The InnovationWell US community of practice Autumn meeting will be taking place at the same location and on the same dates as the eCheminfo US meeting. This meeting will be covering semantic web applications to drug discovery & development, knowledge management and transfer in R&D, clinical trial productivity, drug safety knowledge management and predictive toxicology. All eCheminfo registrants will also have access to the InnovationWell meeting activities. (See for more details).

Please register early for the meetings as the number of places are limited. You can register for the meeting on the website ( or contact Nicki Douglas (nicki.douglas at, +41 61 851 0461) to reserve your place.


101 N. Merion Ave.
United States

Additional Information



Barry Hardy

eCheminfo Community of Practice Manager

Douglas Connect, Switzerland

+41 61 851 0170 (office)

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