Opening new worlds for structure-based drug discovery with advanced physics-based computational methods


Available on demand
 

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Opening new worlds for structure-based drug discovery with advanced physics-based computational methods


Available on demand
 

Overview

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The value of pursuing a structure-based drug discovery strategy has amplified in recent years as new highly predictive, physics-based methods have evolved and demonstrated the ability to accelerate the discovery of novel clinical compounds. However, these approaches are limited by the availability of high-quality structural models of the target protein.

Recent advances in structural biology such as cryo-EM and computationally predicted protein models (using machine learning and physics-based methods) have the potential to open a new world of targets to pursue. This webcast will describe how new advances in computational workflows are enabling structure-based drug discovery on these historically challenging targets and off-targets.

You will learn:
  • How new computational approaches can assist in building and validating high-quality protein structural models in the absence of experimental X-ray crystal structures
  • How these methods can be used to guide structure-based drug discovery programs, such as progressing hits from high-throughput screens, dialing out off-target liabilities, and improving on-target potency
  • What this means for the future of structure-based drug discovery amidst advances in structural biology

This webcast has been produced by Schrödinger, who retains sole responsibility for content. About this content.

Presenters

Presenter
Dr. Edward Miller
Director of Protein Structure Modeling
Schrödinger
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Presenter
Moderator: Jayshan Carpen
Nature Research Custom Media

View Biography