UGM Agenda

Welcome & General Session
Max Carnecchia, CEO, Accelrys

Accelrys Company Vision
Frank Brown, CSO, Accelrys

Biological Registration: A Case Study for Pre-Competitive Alliances

Lori Harmon, Merck

Abstract

Targeted Therapies in Cancer – the EGFR Story and Rational Drug Design of Covalent Drugs

Jus Singh, Avila Therapeutics

Project-Focused Activity and Knowledge Tracker: A Unified Data Analysis, Collaboration, and Workflow Tool for Medicinal Chemistry Project Teams

Marian Brodney & Jacquelyn Klug-McLeod, Pfizer

Probing Mechanisms at the Nanoscale – from Gold Nanowires to Environmental Pollution

Anne Chaka/Sara Mason, NIST

Component Recursion: Implementation of Recursive Workflows Using Components That Call Themselves

Jennifer Heymont, Eisai

Best Practices in Antibody Design

Francisco Hernandez-Guzman, Accelrys

Abstract

Recent Advances in Materials Science Modeling

Stephen Todd, Accelrys

Abstract

Cloud Computing Directions

Conrad Agramont, Accelrys

Structural and functional analysis of CDK4/cyclin D binding to p27 and substrate competitive inhibitors

Campbell McInnes, University of South Carolina

Abstract

Experimental and Theoretical IR and Raman Spectra of Silicates

Istvan Halasz, PQ Corp

Novel Biomaterials and Tissue Engineering:  New Approaches Using High Throughput Methodologies

Robert S. Langer, MIT
Abstract

10:30 AM

Updates for the Pro Client and Reporting Collection

Andrew LeBeau, Accelrys

Abstract

Modeling Protein Degradation Processes and the Development of Rational Approaches to Stabilization and Protein-Cosolute Interactions

Bernhardt Trout, MIT

Recent Developments in CASTEP: New Functionality and Speed Enhancements

Stewart Clark, The CASTEP Group

Abstract

EHS Virtual Workspace that provides Scientific Knowledge Management and Operational Excellence

Christopher Smith, Pfizer

A Collaborative Database and Computational Models For Tuberculosis Drug Discovery

Sean Ekins, Collaborative Drug Discovery

On the Possibilities for Materials Component Collection in Consumer Packaged Goods R&D

Kelly Anderson, P&G

Abstract

How to Manage Scientific Data in a Corporate R&D Center

SH Choi, Insilicotech

Inhibitors of Human Tyrosyl-DNA Phosphodiesterase Developed by Virtual Screening Using Ligand-Based Pharmacophores

Iwona Weidlich, NIH

Density Functional Theory Study on Al Nanostructures

Alex Goldberg, Nick Reynolds, Accelrys

Pipeline Pilot as a Rapid Prototyping Tool for Agility Support: Competitor Drug Information Analysis for Gene Target and News Aggregation and Delivery using RSS feeds

Li Zhang, Roche

Abstract

Estimation of Drug Thermostability in RNAi Therapeutics

Lingling Shen, Harvard University

Fitting vdW Parameters in Forcefield Development by a Combined GA/GFA Method Implemented through a Pipeline Pilot Workflow

Jian-Jie Liang -
talk given by George Fitzgerald, Accelrys

Abstract

Lunch

IT Best Practices

Abstract

Biology

Abstract

Best Practices in Protocol Development

Abstract

Discovery Studio

Abstract

Materials Studio

Abstract

Development of a Mechanism-Based Screening Library

Jacquelyn Klug-McLeod, Pfizer

Big Bytes for Pipeline Pilot

Nancy Latimer, Accelrys

Abstract

Using Protein Ligand Interaction Networks to Navigate Kinome Polypharmacology

Jim Metz, Abbott

Tracking H1N1 Influenza Virus Sequence Mutations Around the World

Eric Scott, Roche

Mad about MAD and More

Dana Honeycutt, Accelrys

Automated Allergenicity Assessment of proteins using Pipeline Pilot

Arvind ThirumalaiswamySekhar,
Dow AgroSciences

Abstract

Use of Data Graph to Navigate Through Complex Data in Pipeline Pilot Based Scientific Applications

Pierre Ducrot, Discngine

Abstract

A Systems Biology Approach : Multi-Parametric High Content Analysis of Estrogen Receptor Functions Reveals Unique Biological Response Fingerprints

MA Mancini, FJ Ashcroft, Baylor College of Medicine

Abstract

Recent Advances and Future Plans in Chemistry and Cheminformatics

Rob Brown & Neil Eccles, Accelrys

Abstract

Kinome‐Wide Predictive Modeling From Diverse High‐Quality Data Sets

Stephan Schurer, University of Miami

Integration of Pipeline Pilot and HEOS®, a SaaS Platform, for Drug Discovery

Frederic Bost, Scynexis

Abstract

Automated in silico Drug Target Discovery Via a Pipeline Pilot Platform for Meta-Analysis of Gene Expression Data

Donavan Cheng, Roche

End of Conference