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Committed to speeding innovation for science-driven organizations, from product ideation through commercialization.

Events

Visit us at EFMC-ISMC 2014 in Lisbon, Portugal

September 7-11, 2014

We are pleased to announce that BIOVIA will be hosting two workshops on Tuesday, September 9 from 16.30. they will cover QSAR Workbench and Non-Bond Analysis

Details of all presentations can be found below:

Presentation Title

QSAR Workbench:  A Web Application to Capture and Deliver Robust Statistical Models

Date & Time Tuesday, September 9 16.30 - 18.30
Presenter BIOVIA formerly Accelrys


Abstract
Here, we will present the QSAR Workbench, a comprehensive statistical modelling web application, that can rapidly help guide QSAR experts through all key stages of model development.  Based on Pipeline Pilot chemistry and data modelling collections, it provides functionality to handle data sets, calculate descriptors, learn from an exhaustive number of statistical models and validate them.  Furthermore, as a Pipeline Pilot protocol-based application, it is easy for experts to introduce new statistical methods and descriptors and to try new combinations of existing methods, which enables for much more rapid exploration of the statistical model space.  Successfully validated predictive models can be published as a web service and integrated with various desktop tools, enabling project teams to usefully exploit series- or project-specific within their existing medicinal chemistry applications.

Presentation Title

Non-Bond Analysis: Understanding Interactions for Structure-Based Drug Design

Date & Time Tuesday, September 9 16.30 - 18.30
Presenter BIOVIA formerly Accelrys


Abstract
The perception, rationalization and optimization of non-bonded interactions is one of the fundamental challenges in rational drug design. Advancing theory and new experimental evidence for molecular interactions beyond classical hydrogen bonds and hydrophobic effects have necessitated a more sophisticated and comprehensive analysis of the interactions involved in shaping and stabilizing protein conformations, protein-protein, and protein-small molecule interactions. Discovery Studio has fully re-engineered and expanded the perception of non-bond interactions, including favorable, unfavorable and unsatisfied interactions. Here we present new client visualization tools available to medicinal and computational chemists to quickly and easily capture and render non-bond interactions and server components to rapidly calculate non-bond interactions for post-processing, enrichment of screening results and interaction fingerprint analysis.

Conference Website

We look forward to seeing you in Lisbon!

 

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