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Up Directory CCL 20.11.17 Webinar: Use highly accurate predictions of ligand affinity from FEP to streamline molecule design
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Wed Nov 4 10:20:30 2020
Subject: 20.11.17 Webinar: Use highly accurate predictions of ligand affinity from FEP to streamline molecule design
Date: November 17th

Time: 5pm GMT, 12pm EST

Duration: 45 minutes

Format: Webinar

Abstract
Accurate predictions of relative binding affinities of ligands are
becoming increasingly popular within the drug discovery community to help
prioritize compounds for synthesis. In this webinar, we will give a brief
introduction into Free Energy Perturbation (FEP) methods, and the
pre-requisites needed to ensure a successful simulation. We will then
show that by using the FEP functionality within Flareâ„¢,
it is possible to use the GUI to design and run a simulation, and then
analyze the subsequent results allowing the researcher to identify
potential compounds for synthesis.

Find out more information and register at: 
https://www.cresset-group.com/about/events/fep-17Nov/
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