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Introduction

In this webinar, we showcase a lead optimization workflow, utilizing Cresset in silico solutions. Here we will demonstrate a process of first reviewing ideas in collaboration with colleagues to aid the identification of interesting molecules, followed by further investigations with methods such as Docking, QSAR modeling and a production mode run using Flareâ„¢ Free Energy Perturbation (FEP). This optimization workflow is ideal for groups of medicinal and computational chemists who need to quickly triage new ideas and keep everyone informed of developments without the need for slide presentations.

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Speakers

• Mari Goldsmith Cresset, United Kingdom
• Lauren Nelson Cresset, United Kingdom

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Venue

Online webinar

Online webinar, United Kingdom

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Organised by

Cresset^® is leading the digital revolution in molecule design and cross-team communication. We combine cutting-edge science with AI/ML to enable our customers to discover new compounds faster and more efficiently. Built from 20 years of computational chemistry innovation, we provide an unrivalled platform for discovery organizations to achieve scientific success.

Contact information

Alana Thompson
Cresset
01223 858890
Contact us by email

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