From: chemistry-request at
To: chemistry-request at
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

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:
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