|CCL 21.11.16 Cresset Webinar, November 16th or 17th: Exploit water interactions in your ligand design|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Oct 28 04:25:28 2021
Subject: 21.11.16 Cresset Webinar, November 16th or 17th: Exploit water interactions in your ligand design
We are hosting this 45-minute webinar over alternative sessions, so please register for the time most convenient to you: November 16th, 9am GMT November 17th, 12pm EST / 9am PST / 5pm GMT Find out more and register for free at: https://www.cresset-group.com/about/events/GIST-analysis/ Abstract: Water molecules do not only participate as mere solvents in biochemical processes, but have very important roles beyond that. The presence of water can, for example, strongly influence quantitative outcomes of binding events in computational chemistry applications. It is therefore crucial to understand the details of water interactions and to properly model those interactions. Grid Inhomogeneous Solvent Theory (GIST) water analysis, which is based on molecular dynamics simulations, has recently been implemented into our comprehensive molecule design platform, Flareâ¢. In this webinar, you will discover how GIST provides insights into the detailed energetics of water binding, in particular the free energy contribution of hydration sites. You will learn how GIST works, the outcomes that you receive and how to interpret the results. Presented by: Dr Hannes Loeffler, Senior Computational Chemistry DeveloperNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to +*+ to fight spam. Before you send e-mail, you need to change +*+ to @
For example: change joe+*+big123comp.com to firstname.lastname@example.org
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/.
Please help: If you find this conference list useful but you noticed some conference missing, please consider including it here by using the Conference Submission Page. It is free but your support is welcome. You will help others!!!
[ CCL Home Page ]
[ Conferences ] [ Jobs ] [ Resumes ]
[ Raw Version of this page ]
|Modified: Thu Oct 28 08:25:28 2021 GMT|
|Page accessed 957 times since Thu Oct 28 08:24:26 2021 GMT|
Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.