Application of Artificial Intelligence to Structural-Functional Biology and Drug Design

webinar

Thu, 21 Oct 2021, 16:00 CEST (Berlin)

Dr. Irina Moreira, University of Coimbra, Portugal

Application of Artificial Intelligence to Structural-Functional Biology and Drug Design

Despite technological advances, the conventional process of drug discovery and development still shows limited therapeutic efficacy. To date, we only partially understand disease pathophysiology, we see an overall deficiency in developing therapeutics that target overlapping dysregulated pathways, and the choice of therapeutically irrelevant drug targets.
A key difficulty lies in mining and interpretation of an ever-growing and overwhelming wealth of diverse data — data, that is disparate from global, systemic approaches with an increased granularity of evidence. A subsequent challenge is to determine the relative importance of different pieces of evidence when combining all the available information to suggest promising, sensible targets for drug discovery. Given the latest advances in AI, this enormous task can now be pursued.

Join this webinar to hear and see Irina giving some examples on such target characterization.

Current news

category
Challenge
Summer 2026 Scientific Challenge Deadline Approaching
May 13, 2026 10:54 CEST
We invite researchers in academia (students, postdocs, professors), non-profit organizations, and individuals to participate in our quarterly Scientific Challenge. Take advantage of our wide array of software to help meet your drug discovery goals. How to Participate Just send us a proposal for the project you would like to advance...
Read on
What's So Special About The 'Activity Spotter'? Detailed Insights Into SeeSAR's New Mode
April 29, 2026 10:22 CEST
SeeSAR’s Activity Spotter Mode is designed to dismantle the barrier of raw data and actionable SAR. It helps to answer the most relevant fields in hit-to-lead and lead optimization campaigns: 3D SAR and pharmacophore modeling. Which structural features in my molecule set are associated with activity? Which ones are linked...
Read on
Tool of the Month - FlexX
April 29, 2026 08:53 CEST
Spring is Molecular Docking Season The bread and butter of computational chemistry: predicting potential binding modes, which serves as a crucial foundation for SAR analysis and design decisions, is being made available to everyone this month with the proprietary docking tool FlexX. Validated by over 10,000 citations of its original...
Read on