27 May 2021Ended

Molecular modeling for the medicinal chemistry toolkit


Estimated Turnout

100 - 500
Based on previous editions


May 2021


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Join us on May 27 to discover how to streamline your workflows using integrated software solutions for docking, ligand design, and optimisation. A .. Read more common and significant goal in the design and optimisation of drugs is the reliable prediction of structure-activity relationships. Whether you prefer to design ligands in 2D or 3D, it is extremely useful to be able to predict how your ligand modifications are likely to impact protein-ligand complex structures, and molecular modeling and docking tools are ideal for helping to provide these useful predictions. In this webinar, we’ll discuss molecular modeling tools geared towards medicinal chemists and will demonstrate docking and enumeration of lead compounds in a drug discovery case study. In addition, you’ll be introduced to Schrödinger’s enterprise informatics platform, LiveDesign, which enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analysing, tracking and reporting. Our speaker, Abigail Emtage, will also demonstrate how new compounds can be intelligently designed using a tool that enables chemists to layer relevant information and identify novel grow space to quickly recognise where ligand modifications are most desirable. As part of the Schrödinger education team, Emtage works to convey key computational chemistry concepts by providing training for customers, colleagues, and via science outreach projects.

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Vineetha CM

Vineetha CM

Professor at JDT Islam college of pharmacy

Kozhikode, India
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Royal Society Of Chemistry

UK321 Total Events / 19 Upcoming Events53+ Followers

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