Dear John, I surely hope that the recent Nobel Prize will encourage young people to get into into the fields of computational biology and chemistry.
Moreover, X-ray sources are undergoing new exciting developments (e.g., XFELs) that require new computational approaches, as does cryo-EM. Cheers, Axel On Oct 10, 2013, at 11:05 AM, Jrh <jrhelliw...@gmail.com> wrote: > Dear Sacha, Dear Colleagues, > I also offer my congratulations to the Chemistry Nobellists of yesterday. A > very exciting and significant event, which I enjoyed. I recall when my PhD > student, Gail Bradbrook, spoke about our harnessing these exciting methods in > our crystallographic and structural chemistry concanavalin A saccharide > studies, to crystallographers, there was a wide spread of reactions. Ie from > scepticism to shared excitement. As an example of Gail's work see eg > http://pubs.rsc.org/en/content/articlelanding/1998/ft/a800429c/unauth#!divAbstract > It is sometimes said that a Nobel Prize kills a field. I think we can say > instead that it is mature. But, to couple with the discussion on peer > review; there are weaknesses in conventional ie the usual peer review; it > does not cope well with 'risk and adventure' results. post publication peer > review is an interesting solution, which in my view should be tried. This > bulletin board itself in fact is a great initiative, institution actually, > which helps develops community views of results and trends. > Just my two pennies worth, > Greetings, > John > > Prof John R Helliwell DSc FInstP CPhys FRSC CChem F Soc Biol. > Chair School of Chemistry, University of Manchester, Athena Swan Team. > http://www.chemistry.manchester.ac.uk/aboutus/athena/index.html > > > > On 10 Oct 2013, at 09:26, Alexandre OURJOUMTSEV <sa...@igbmc.fr> wrote: > >> Hello to everybody, >> >> Alex, it was a great idea to initiate the conversation sending >> congratulations to our colleagues ! >> Bob, it was another great idea, when congratulating the Winners, to remind >> us of the framework. >> >> As one of my colleagues pointed out, we shall also give a lot of credits to >> Shneior Lifson who was in the very origins of these works, ideas and >> programs (see the paper by M.Levitt "The birth of computational structural >> biology", Nature Structural & Molecuar Biology, 8, 392-393 (2001); >> http://www.nature.com/nsmb/journal/v8/n5/full/nsb0501_392.html ). >> >> Older crystallographers may remember a fundamental paper by Levitt & Lifson >> (1969). >> >> With best wishes, >> >> Sacha Urzhumtsev >> >> >> -----Message d'origine----- >> De : CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] De la part de Sweet, >> Robert >> Envoyé : mercredi 9 octobre 2013 23:52 >> À : CCP4BB@JISCMAIL.AC.UK >> Objet : Re: [ccp4bb] השב: [ccp4bb] Why nobody comments about the Nobel >> committee decision? >> >> It deserves comment!! I've been too busy talking with my friends about it >> to think of CCP4. >> >> This morning on NPR I heard Karplus's name and started to whoop and holler, >> and by the time they got to Arieh I realized they had a Hat Trick!! It's a >> spectacular thing that this field should get recognition! >> >> An interesting feature to me is that, at least when I was following the >> field, these three use physics to do their work, modeling with carefully >> estimated spring constants, etc., and eventually QM results. Those who use >> phenomenology -- hydrophobic volumes, who likes to lie next to whom, etc. -- >> are extremely effective (you know who they are), and they deserve credit. >> But they (we, some years ago) stand on the shoulders of the achievements of >> these three. >> >> It's good to remember the late, great, Tony Jack, cut down before reaching >> his prime. >> >> Bob >> >> ________________________________________ >> From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Nat Echols >> [nathaniel.ech...@gmail.com] >> Sent: Wednesday, October 09, 2013 5:31 PM >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: Re: [ccp4bb] השב: [ccp4bb] Why nobody comments about the Nobel >> committee decision? >> >> Levitt also contributed to DEN refinement (Schroder et al. 2007, 2010). >> >> -Nat >> >> >> On Wed, Oct 9, 2013 at 2:29 PM, Boaz Shaanan >> <bshaa...@bgu.ac.il<mailto:bshaa...@bgu.ac.il>> wrote: >> Good point. Now since you mentioned contributions of the recent Nobel >> laureates to crystallography Mike Levitt also had a significant contribution >> through the by now forgotten Jack-Levitt refinement which to the best of my >> knowledge was the first time that x-ray term was added to the energy >> minimization algorithm. I think I'm right about this. This was later adapted >> by Axel Brunger in Xplor and other progrmas followed. >> Cheers, Boaz >> >> >> >> -------- הודעה מקורית -------- >> מאת Alexander Aleshin >> <aales...@sanfordburnham.org<mailto:aales...@sanfordburnham.org>> >> תאריך: 10/10/2013 0:07 (GMT+02:00) >> אל CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> >> נושא [ccp4bb] Why nobody comments about the Nobel committee decision? >> >> >> Sorry for a provocative question, but I am surprised why nobody >> comments/congratulations laureates with regard to recently awarded Nobel >> prizes? However, one of laureates in chemistry contributed to a popular >> method in computational crystallography. >> CHARMM -> XPLOR -> CNS -> PHENIX->… >> >> Alex Aleshin >> <Levitt_2001_NatureStrBiol_8_392-393.pdf>
