Application of FEP+ and Protein FEP+ to rapid discovery and optimisation of potent and selective kinase inhibitors

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Join Schrödinger’s Aleksey Gerasyuto to learn how to accelerate your drug discovery using high performance Free Energy Perturbation (FEP) calculations in in silico chemical simulations 

In this webinar, executive director Alexy Gerasyuto discusses the discovery of novel Wee1 kinase inhibitors using Schrödinger’s FEP+ solution. We also explore how Protein FEP+ has been used in the rapid optimisation of kinase selectivity.

By watching this webinar recording you will:

  • Learn how computational methods are being applied to drug design and lead optimisation projects
  • Learn how physics-based methods like Free Energy Perturbation can dramatically save time and money compared to traditional drug discovery methods
  • See examples of successful applications of these technologies to real drug discovery projects

Aleksey Gerasyuto

Speaker:  Aleksey Gerasyuto, executive director at Schrödinger

Aleksey Gerasyuto is an executive director of medicinal chemistry in drug discovery group of Schrödinger where he is responsible for leading several of the internal and collaborative drug discovery projects. He is also involved in target selection and evaluation process for shaping of the internal pipeline. Aleksey started his career at PTC Therapeutics where he held positions of increasing responsibilities in medicinal chemistry department working on projects in antibacterial, oncology and rare genetic disorders space. Aleksey holds a Ph.D. from the University of Wisconsin-Madison and B.S./M.S. from Higher Chemical College of Russian Academy of Sciences.

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Schrödinger’s industry-leading computational platform to accelerate drug discovery and materials design is deployed by leading biopharmaceutical and industrial companies, academic institutions and government laboratories worldwide. Schrödinger is also applying its computational platform to a diverse and extensive pipeline of drug discovery programs in collaboration with pharmaceutical companies and has co-founded leading biotech companies. In addition, Schrödinger is using its platform to advance a pipeline of internal, wholly-owned drug discovery programs.  

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