From owner-chemistry@ccl.net Tue Feb 16 21:00:01 2016 From: "Drug Design drugdesigndata^^gmail.com" <owner-chemistry-,-server.ccl.net> To: CCL Subject: CCL: New D3R Protein-ligand blind prediction mini-challenge (PL-2016-1) open now Message-Id: <-52027-160216195805-20086-Lg6FmoIC/p4df1GLxg8FmQ-,-server.ccl.net> X-Original-From: Drug Design <drugdesigndata * gmail.com> Content-Type: multipart/alternative; boundary=001a1140f3fad4e466052becbd80 Date: Tue, 16 Feb 2016 16:58:00 -0800 MIME-Version: 1.0 Sent to CCL by: Drug Design [drugdesigndata|*|gmail.com] --001a1140f3fad4e466052becbd80 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Dear Colleagues, We recently received unpublished structure and affinity data for two small sets of proteins, which were designed with the program Rosetta. There are 5 co-crystal structures to predict, and two small affinity sets. These data make for an interesting challenge, focused not on ligand-design, but on protein-design, as it looks at how the same ligand binds different protein variants. This is also relevant to predicting how mutations of a drug target affect binding of its drug. *There is limited time to use these data for a blinded challenge, because they will be submitted for publication soon, so we are offering it now as a =E2=80=9Cmini-challenge=E2=80=9D, named PL-2016-1, with predictions due be= fore the March D3R workshop.* If time permits, this added challenge will be discussed at the workshop; otherwise, we anticipate holding a webinar to discuss it subsequently. For more information, and to download the challenge files, go to: drugdesigndata.org/about/challenge-pl-2016-1 You don=E2=80=99t need to have submitted any prior predictions to try this challenge! Please feel free to redistribute this announcement. Best regards, The D3R Team --001a1140f3fad4e466052becbd80 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable <div dir=3D"ltr"><div dir=3D"ltr"> <p class=3D"MsoNormal"><span style=3D"f= ont-size:11pt;font-family:Calibri,sans-serif">Dear Colleagues,<br> </span></p><p class=3D"MsoNormal"><span style=3D"font-family:Calibri,sans-s= erif;font-size:11pt">We recently received unpublished structure and affinity data for two small sets of proteins, which were designed with the program Rosetta.=C2=A0 There are 5 co-crystal structures to predict, and two small affinity sets. <br> </span></p><p class=3D"MsoNormal"><span style=3D"font-family:Calibri,sans-s= erif;font-size:11pt">These data make for an interesting challenge, focused not on ligand-design, but on protein-design, as it looks at how the same ligand binds different protein variants.=C2=A0 This is also relevant to predicting how mutations of a drug target affect binding of its drug.</span></p><p class=3D"Mso= Normal"><span style=3D"font-size:11pt;font-family:Calibri,sans-serif"><b>Th= ere is limited time to use these data for a blinded challenge, because they will be submitted for publication soon, so we are offering it now as a =E2=80=9Cmini-challenge=E2=80=9D,= named =C2=A0PL-2016-1, with predictions due before the March D3R workshop.</b>=C2=A0</span><font f= ace=3D"Calibri, sans-serif"><span style=3D"font-size:14.6667px">If time permits, this added challenge will be discussed at the workshop;=20 otherwise, we anticipate holding a webinar to discuss it subsequently.</spa= n></font></p><p class=3D"MsoNormal"><span style=3D"font-size:11pt;font-fami= ly:Calibri,sans-serif">For more information, and to download the challenge files, go to:=C2=A0</span><font face=3D"Calib= ri, sans-serif"><span style=3D"font-size:14.6667px"><a href=3D"http://drugd= esigndata.org/about/challenge-pl-2016-1">drugdesigndata.org/about/challenge= -pl-2016-1</a></span></font></p><p class=3D"MsoNormal"><span style=3D"font-= family:Calibri,sans-serif;font-size:11pt">You don=E2=80=99t need to have submitte= d any prior predictions to try this challenge! Please feel fre= e to redistribute this announcement.</span></p><p class=3D"MsoNormal"><span= style=3D"font-family:Calibri,sans-serif;font-size:11pt">Best regards,<br> The D3R Team</span></p></div></div> --001a1140f3fad4e466052becbd80--