Discovery projects are often faced with limited protein structure information, making structure-based drug design impossible. Ligand-based methods provide a valuable alternative to allow you to identify new leads and scaffold hop, understand the physical basis of your structure-activity relationships and guide lead optimisation.
Join Drs Ajay Jain and Ann Cleves, Vice Presidents of Optibrium’s BioPharmics Division, experts in ligand- and structure-based drug design, as they discuss the eSim molecular similarity method, a ligand-based drug design approach which considers surface-shape, electrostatics, and directionally sensitive hydrogen-bonding when comparing two molecules.
Watch, as they share:
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The scientific foundations of the eSim approach
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The applications of this method, including virtual screening, pose prediction, and multiple ligand alignment
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A hands-on demonstration of multiple ligand alignment using the StarDrop eSim3D module and practical application within a virtual screen
The webinar will be followed by a Q&A session, so feel free to come primed with any questions you have around ligand-based drug design.
Join the webinar, 5 December, 8:00 PST | 11:00 EST | 16:00 GMT | 17:00 CET
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In August 2023, Optibrium acquired BioPharmics LLC, a world-leading developer of 3D ligand and structure-based drug design software. Their suite of industry-leading algorithms and software includes products for 2D to 3D ligand conversion and conformer generation (ForceGen), molecular docking (Surflex-Dock), molecular similarity (eSim), and binding affinity prediction (QuanSA). Find out more in our recent press release.
