From owner-chemistry@ccl.net Sat Nov 8 05:38:00 2025 From: "Franck Chevalier f.chevalier]~[acellera.com" To: CCL Subject: CCL: Talk to a protein and activate your data - webinar Message-Id: <-55423-251108053125-21863-DD2VzE5p9zMAUTrtDwnjBA() server.ccl.net> X-Original-From: "Franck Chevalier" Date: Sat, 8 Nov 2025 05:31:20 -0500 Sent to CCL by: "Franck Chevalier" [f.chevalier-$-acellera.com] We have released the first co-scientist you can talk to! You can do all sorts of things together with the co-scientist: 1) Retrieve and discuss literature, structural, and potency data ("speak to a protein") 2) Prepare proteins and small molecules, build systems for molecular simulations, with water and membranes, using state-of-the-art protocols and tools 3) Run complex simulations and do the analysis 4) Docking using restrained (acedock) and free flexible docking (boltz2) 5) Perform an analysis of tabular data using automatically generated Python code 6) Visual communication between you and the co-scientist by the PlayMolecule interface 7)...discover more features during our webinar! We invite you to an online demo on Nov 12 at 4pm CET (Zoom meeting, please copy/paste the link in your browser to register - FREE!). https://us06web.zoom.us/webinar/register/5217623357740/WN_f3kTeR5nQMebzI132uE_4w#/registrati on If you would like to know more about PlayMolecule AI: https://playmolecule.ai See you soon ! From owner-chemistry@ccl.net Sat Nov 8 15:44:00 2025 From: "Marcel Swart marcel.swart*gmail.com" To: CCL Subject: CCL: Results for DFT Poll 2025 Message-Id: <-55424-251108143927-14433-1NpVyeR8uxG7t+Kp4DkMRA::server.ccl.net> X-Original-From: "Marcel Swart" Date: Sat, 8 Nov 2025 14:39:23 -0500 Sent to CCL by: "Marcel Swart" [marcel.swart^^^gmail.com] The results for the DFT-Popularity Poll 2025 are now online: https://www.marcelswart.eu/dft-poll/index.html Surprising results!!! MS Prof. Marcel Swart ICREA and Univ. Girona www.marcelswart.eu marcel.swart[#]icrea.cat Disclaimer: I completely understand if you don't have time to work on this until normal business hours. I won't be expecting an immediate response.