From owner-chemistry@ccl.net Thu Sep 6 01:08:00 2018 From: "groos Goedele.Roos~~vub.ac.be" To: CCL Subject: CCL: D3R Grand Challenge 4 (pose prediction, affinity ranking, and free energy calculations) is now open! Message-Id: <-53453-180904144158-28700-2py5r2DUxG7iFy65Kqjj0g[]server.ccl.net> X-Original-From: groos Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8; format=flowed Date: Tue, 04 Sep 2018 20:41:50 +0200 MIME-Version: 1.0 Sent to CCL by: groos [Goedele.Roos/./vub.ac.be] why always competition? What is it good for? Why not putting efforts together? Gilson, Michael mgilson,,ucsd.edu schreef op 04.09.2018 18:17: > Sent to CCL by: "Gilson, Michael" [mgilson_-_ucsd.edu] > Dear Colleague, > > Grand Challenge 4 (GC4) is now open! Details and data packages are > available here. You will need to log in to the D3R site to obtain the > data packages. The deadlines are as follows: > > Stage 1a, cross-docking challenge: October 4 > Stage 1b, self-docking challenge: October 19 > Stage 2. affinity ranking and free energies: December 4 > > Happy docking! > D3R Team> To recover the email address of the author of the message, please > change From owner-chemistry@ccl.net Thu Sep 6 15:16:01 2018 From: "Gilson, Michael mgilson#ucsd.edu" To: CCL Subject: CCL: D3R Grand Challenge 4 (pose prediction, affinity ranking, and free energy calculations) is now open! Message-Id: <-53454-180906150201-9197-H2ilr9to/V5HfJ3ys6EsOA*o*server.ccl.net> X-Original-From: "Gilson, Michael" Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 6 Sep 2018 19:01:52 +0000 MIME-Version: 1.0 Sent to CCL by: "Gilson, Michael" [mgilson^ucsd.edu] We see this as a challenge, rather than a competition. We make no attempt to identify "winners". And it already is a way of putting our efforts together to compare methods on an equal footing! I have found in my own work that participating in blinded prediction challenges forces one to think about one's methods in new ways, and the results have helped me optimize my research directions. In addition, D3R has sponsored and hosted a series of in-person and virtual workshops that literally bring people together, to discuss results and methods, network, and help brainstorm about how we can move the field forward. The next such planned workshop will take place in La Jolla in August 2019. That said, we are open to suggestions for how people in the field may come together to advance methods. Mike On 9/5/2018 11:30 PM, groos Goedele.Roos~~vub.ac.be wrote: > Sent to CCL by: groos [Goedele.Roos/./vub.ac.be] > > why always competition? What is it good for? Why not putting efforts > together? > > Gilson, Michael mgilson,,ucsd.edu schreef op 04.09.2018 18:17: >> Sent to CCL by: "Gilson, Michael" [mgilson_-_ucsd.edu] >> Dear Colleague, >> >> Grand Challenge 4 (GC4) is now open! Details and data packages are >> available here. You will need to log in to the D3R site to obtain the >> data packages. The deadlines are as follows: >> >> Stage 1a, cross-docking challenge: October 4 >> Stage 1b, self-docking challenge: October 19 >> Stage 2. affinity ranking and free energies: December 4 >> >> Happy docking! >> D3R Team> To recover the email address of the author of the message, please >> change> > > -- Michael K. Gilson, M.D., Ph.D. Professor and Chair in Computer-Aided Drug Design Co-Director UC San Diego Center for Drug Discovery Innovation Skaggs School of Pharmacy and Pharmaceutical Sciences 9500 Gilman Drive MC0736 La Jolla, CA, 92093-0736 Tel: 858-822-0622 gilson.ucsd.edu cddi.ucsd.edu bindingdb.org