From owner-chemistry@ccl.net Sat Feb 17 10:43:00 2018 From: "Thomas Exner thomas.exner##douglasconnect.com" To: CCL Subject: CCL: eChemInfo workshop on drug design in Milano Message-Id: <-53184-180217055435-11354-BcdEKFoDuHzNaMyqVsNQCg|a|server.ccl.net> X-Original-From: "Thomas Exner" Date: Sat, 17 Feb 2018 05:54:32 -0500 Sent to CCL by: "Thomas Exner" [thomas.exner]_[douglasconnect.com] Continuation of our workshop to resolve your problems in drug design Training and Innovation Course in Drug Design 17-21 July 2018 Department of Pharmaceutical Sciences, University of Milan Bring your own problems in rational drug design to this hands-on workshop co-organized by the University of Milans Department of Pharmaceutical Sciences and eChemInfo. Over one week, top modeling experts will teach you state-of-the-art/emerging approaches and tools and help you apply new knowledge to your own research. Real-world examples from academia and industry, as well as experimental techniques, will be strongly integrated into the workshop. Get personalized advice from Stefano Moro, University of Padova, working on G protein-coupled receptor ligand recognition pathways; Anthony Bradley from the Diamond Light Source's XChem project providing services for complex structure determination using medium- to high-throughput X-ray; and other industry experts soon to be announced. Participants - chemists, life scientists and modellers working in rational drug design - will return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities. http://www.echeminfo.com/events/echeminfo-euro-2018 The workshop will provide a set of stimulating lectures and group work sessions on: - virtual screening, - ligand-based and structure-based drug design, - bio- and cheminformatics, - molecular dynamics simulation, - drug delivery modelling, - off-target predictions and - quantum mechanics in the hit-to-lead phase The functionalities of tools developed in academic groups and from the main software providers will be explored based on tutorials and, even more important, on case studies taken from ongoing research. Posters are welcome to give the other attendees an overview of your work and foster discussion within the groups. Bursary Awards are available; deadline extended until 30 April at http://www.echeminfo.com/bursary-awards Early-bird reduced rates are also available until 30 April. For further information and questions on this (updated program, exact location, suggestions for accommodation,...) and other eChemInfo workshops, please visit http://www.echeminfo.com/events or contact us. Alessandro Contini, University of Milano (alessandro.contini : unimi.it) Thomas Exner, Douglas Connect (thomas.exner : douglasconnect.com) P.S.: Please spread the word by showcasing the attached poster on your notice boards. From owner-chemistry@ccl.net Sat Feb 17 21:37:00 2018 From: "Alejandro Pisanty apisan*servidor.unam.mx" To: CCL Subject: CCL: "We the people of the CCL" as research subjects in IEEE Paper Message-Id: <-53185-180217210122-11129-NBZxECVtJgh6eQ7h2GwBpQ-#-server.ccl.net> X-Original-From: "Alejandro Pisanty" Date: Sat, 17 Feb 2018 21:01:20 -0500 Sent to CCL by: "Alejandro Pisanty" [apisan+/-servidor.unam.mx] Hi, in http://ieeexplore.ieee.org.pbidi.unam.mx:8080/document/8268025/ Alexandre Hocquet and Frederic Wieber have published a very interesting and thought-provoking paper about the CCL, Computational Chemistry List, titled "Only the Initiates Will Have the Secrets Revealed: Computational Chemists and the Openness of Scientific Software". May I recommend its reading to alll members. As a member of the first batch of 100 members of the list started in 1991 by Jan Labanowski (and co-author with him of the first paper on the List, quoted by Hocquet and Wieber), I find it heartening to observe that even our "flame wars" have been mild and constructive - and now part of the scientific record. I have often quoted the CCL as an exemplary, self-regulated, civil space for learning, for the exchange between experts and novices and for the exchanges on ideas from widely differing perspectives. I believe that Hocquet and Wieber's paper largely vindicates that view. We are now 27 years in existence. A testimony to the community and, above all, to Jan Labanowski's generosity, vision, and iron will. Yours, Alejandro Pisanty The full reference is A. Hocquet and F. Wieber, "Only the Initiates Will Have the Secrets Revealed: Computational Chemists and the Openness of Scientific Software", IEEE Annals of the History of Computing, v. 35 noo. 4 oct-dec 2017 pp. 40-58 https://doi.org/10.1109/MAHC.2018.1221048