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>
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Date: Tue, 16 Feb 2016 16:58:00 -0800
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Sent to CCL by: Drug Design [drugdesigndata|*|gmail.com]
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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We recently received unpublished structure and affinity data for two small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

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<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                                        recently received unpublished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>

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