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Discovery Studio Non-Bond Analysis: Understanding Interactions

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 4.0 has fully re-engineered and expanded the perception of non-bond interactions, including favorable, unfavorable and unsatisfied interactions. This webinar will present new client visualization tools 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.

Presented by Tien Luu, Advisory Scientific Specialist, Life Science, BIOVIA

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