A common and important goal in drug design and optimization is the reliable prediction of structure-activity relationships. Whether you prefer to design ligands in 2D or 3D, being able to predict how your ligand modifications are likely to impact complex protein-ligand structures is extremely useful, and molecular modeling and docking tools are ideal for helping you provide these useful predictions.

In this webinar, we discuss molecular modeling tools for medicinal chemists and demonstrate docking and enumeration of lead compounds in a drug discovery case study.

Additionally, you’ll learn about Schrödinger’s enterprise computing platform, LiveDesign, which enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting. Our speaker, Abigail Emtage, also demonstrates how new compounds can be intelligently designed using a tool that allows chemists to layer relevant information and identify new growth spaces to quickly recognize where ligand modifications are most desirable.

Join us for free to learn:

• Ways to streamline your workflows using integrated software solutions for docking, ligand design and optimization
• How to intelligently design new ligands and optimize leads using information on protein binding pockets and reaction-based enumeration pathways
• How to accelerate your research and development with Schrödinger's online course

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