Events
Streamlining CADD and med chem communications
Abstract
Easy two-way communication between computational and medicinal chemists promotes collaboration and paves the way for innovative and efficient drug design. However, sharing new molecule ideas and computational results in a streamlined workflow is challenging, often relying on static communication channels like PowerPoint slides, emails and file sharing to bridge the gap between separate software environments.
Learn how to connect Torx® Design with Flare™ to enable fluid sharing of molecules and results between computational and medicinal chemists. Using Flare, computational chemists can access the full range of structure-based and ligand-based capabilities for comprehensive molecular modeling and easily share the results with their medicinal chemistry colleagues using Torx.
We will show how, using Torx and Flare together, you can move molecules seamlessly between the two platforms and empower medicinal and computational chemists to:
- Work together more closely to streamline in silico design and brainstorm new ideas
- Provide real-time insight and feedback on new designs
- Generate high value predictions from computational workflows and share these easily with the wider team
- Flag promising compounds to steer the direction of review meetings
About the presenters
Mari Goldsmith
Mari has over 20 years’ experience in the pharmaceutical industry at Lilly, starting off in analytical chemistry, focusing mainly on purification using SFC and prep-LC-MS. Following the completion of her MChem via day release, she transitioned to medicinal chemistry working in therapeutic areas such as pain, endocrine and neuroscience, as well as two secondments in computational chemistry. Mari is now an Application Scientist at Torx Software, focusing on Torx Design and Torx Analyze.
Selma Sapmaz
Selma is an accomplished medicinal chemist with expertise in autoimmunity, CNS disorders and 
pain targets with a track record of delivery from target to candidate selections. She thrives working at the interface of computational sciences and medicinal chemistry, applying novel computational approaches for innovative compound design which have led to multiple candidate deliveries. She has over 16 years drug discovery experience gained at Eli Lilly and holds a PhD in organic chemistry from the University of Bath. Selma currently works as part of the Cresset Discovery team providing medicinal computational solutions to pharma, biotech and academia and is working to streamline the drug discovery process with the integration of Torx.