Tuesday, October 26, 2021 at 12:00 PM
Structure- and ligand-based analysis - How to combine the best of two worlds for driving compound design
Save the date for this Discngine sponsored panel discussion.
Malin Lemurell, Executive Dir., Head of Medicinal Chemistry Early CVRM BioPharmaceuticals R&D at AstraZeneca
Troy D. Smith, Senior Expert I, Data Science at Novartis Institutes for BioMedical Research (NIBR)
And the moderators: Gabriella Jonasson, 3decision product owner at Discngine
Structure-based and ligand-based methods are two general approaches typically used to derive rational insight and guidelines for both SAR analysis and compound design / prioritization. Both bring different yet complementary levels of information that are valuable to most drug discovery projects.
Combining insights from the two worlds can be tricky since each side requires very different skillsets, theoretical knowledge, and software tools.
This panel discussion will cover the current challenges and future opportunities for leveraging structure-and ligand-based data in drug discovery teams on a routine basis. We aim here to define a set of good practices together and identify solutions for the current challenges.
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