From owner-chemistry@ccl.net Fri Jul 5 11:55:00 2013 From: "Oellien, F (Frank) frank.oellien#%#msd.de" To: CCL Subject: CCL: GCC2013 - Call for Paper Message-Id: <-48892-130705090628-12457-9+sfv5yTN06Wl1lGPN1A7g a server.ccl.net> X-Original-From: "Oellien, F (Frank)" Content-Language: en-US Content-Type: multipart/related; boundary="_004_00FE5FB90A64044BA1B6542C213F3F050108CF7954B4BEBRMXP5100_"; type="multipart/alternative" Date: Fri, 5 Jul 2013 15:04:46 +0200 MIME-Version: 1.0 Sent to CCL by: "Oellien, F (Frank)" [frank.oellien!=!msd.de] --_004_00FE5FB90A64044BA1B6542C213F3F050108CF7954B4BEBRMXP5100_ Content-Type: multipart/alternative; boundary="_000_00FE5FB90A64044BA1B6542C213F3F050108CF7954B4BEBRMXP5100_" --_000_00FE5FB90A64044BA1B6542C213F3F050108CF7954B4BEBRMXP5100_ Content-Type: text/plain; charset="iso-8859-1" MIME-Version: 1.0 Content-Transfer-Encoding: quoted-printable CALL FOR PAPERS 9th German Conference on Chemoinformatics (GCC2013) MARITIM Hotel, Fulda, Germany November 10 - 12, 2013 Dear Colleagues, The CIC division of the German Chemical Society announces the 9. German Con= ference on Chemoinformatics (GCC2013) - http://www.gdch.de/gcc2013) The new CIC division board has completely reworked the concept of this inte= rnational Computational Chemistry event and also relocated the conference v= enue to Fulda to allow better travel connections. We are inviting the submission of abstracts for talks, posters and free sof= tware contributions in the following plenary sessions: * Chemoinformatics and Drug Discovery * Molecular Modeling * Computational Material Science * New Developments The conference board also strongly appreciate submissions from other Comput= ational Chemistry fields. The deadline for the submissions of oral contributions is August 1, 2013. Please visit our online submission form on http:/www.gdch.de/gcc2013 to sub= mit your abstract. Invited Speakers this year are: * Frank B=F6ckler * Alex M. Clark * Peter Ertl * Jens Klein * Klaus Liedl * Gisbert Schneider * Sebastian Stueker Visit the conference website at www.gdch.de/gcc2013 for more information. Frank Oellien On behalf of the GDCh CIC Division Dr. Frank Oellien Senior Scientist, Bioinformatics AH - Molecular Discovery Sciences MSD Animal Health Innovation GmbH Zur Propstei 55270 Schwabenheim, Germany E-Mail: frank.oellien+/-msd.de Phone: +49 (6130) 948 365 Fax: +49 (6130) 948 517 Home http://www.msd-animal-health.com [cid:image001.gif+/-01CE7990.F9CC2440] Hinweis: Diese Email wird von einem Unternehmen der deutschen MSD-Gruppe ve= rsandt. Hierzu geh=F6ren folgende Vertriebsunternehmen: Humanarzneimittel: MSD Sharp & Dohme GmbH, Lindenplatz 1, 85540 Haar; HR M=FCnchen B 6194 Gesch=E4ftsf=FChrer: Hanspeter Quodt (Vors.), Dr. Claus Dollinger, Dr. Veit= Stoll Aufsichtsratsvorsitzender: Dr. Axel Breitstadt Tierarzneimittel: Intervet Deutschland GmbH, Feldstr. 1a, 85716 Unterschlei=DFheim; HR M=FCnc= hen B 138151 Gesch=E4ftsf=FChrer: Dr. Daniel Sicher (Vors.), Christoph K=F6lsch Weitere Unternehmen der deutschen MSD-Gruppe siehe http://info.msd.de/pflic= htangaben --_000_00FE5FB90A64044BA1B6542C213F3F050108CF7954B4BEBRMXP5100_ Content-Type: text/html; charset="iso-8859-1" MIME-Version: 1.0 Content-Transfer-Encoding: quoted-printable

CALL FOR PAPE= RS

9th German Conference on Chemoinfo= rmatics (GCC2013)

MARITIM Hotel, Fuld= a, Germany

November 10 – 12, 20= 13

Dear Colleagues,

&nbs= p;

The CIC division of the German Chemical= Society announces the 9. German Conference on Chemoinformatics (GCC2013) -= http://www.gdch.de/gcc2013)

The new CIC division board has completel= y reworked the concept of this international Computational Chemistry event = and also relocated the conference venue to Fulda to allow better travel con= nections.

We are inviting the submission of abstracts for talks, po= sters and free software contributions in the following plenary sessions:

* Chemoinformatics and Drug Discovery

* Molecular Modeling

* Computa= tional Material Science

* New Develop= ments

The conference board also strongly appreciate submissions f= rom other Computational Chemistry fields.

The deadline for the subm= issions of oral contributions is August 1, 2013.

Please visit our online submission form on http:/www.gdch.de/g= cc2013 to submit your abstract.

=

Invited Speakers this year are:

* Frank B=F6ckler

* Alex M. Clark=

* Peter Ertl<= /o:p>

* Jens Klein

* Klaus Liedl

* Gisbert Schneider<= o:p>

* Sebastian Stueker=

Vi= sit the conference website at www.gd= ch.de/gcc2013 for more information.

Frank Oellien

On behalf of the GDCh CIC Division

=

<= /o:p>

Dr. Frank Oellien

Senior Scientist, Bioinformatics

AH – Molecular Disc= overy Sciences

MSD Animal Health Innovation GmbH

Zur Propstei

55270 Schwabenheim, Germany

=

E-Mail: = frank.oellien+/-msd.de

Phone: +49 (6130) 948 365 = ; &n= bsp; = ;

= Fax: = +49 (6130) 948 517 &n= bsp; = ; &n= bsp;

H= ome http://www.msd-animal-health.com =

3D"msd_=

Hinweis: Diese Email wird von einem Unternehmen der deutschen MSD= -Gruppe versandt. Hierzu geh=F6ren folgende Vertriebsunternehmen:

Humanarzneimittel:

MSD Sharp & Dohme GmbH, Lindenplatz 1, 85540 Haar; HR M=FCnchen B 61= 94
Gesch=E4ftsf=FChrer: Hanspeter Quodt (Vors.), Dr. Claus Dollinger, Dr= . Veit Stoll
Aufsichtsratsvorsitzender: Dr. Axel Breitstadt

Tierarzneimittel:

Intervet Deutschland GmbH, Feldstr. 1a, 85716 Unterschlei=DFheim; HR M= =FCnchen B 138151
Gesch=E4ftsf=FChrer: Dr. Daniel Sicher (Vors.), Christ= oph K=F6lsch

Weitere Unternehmen der deutschen MSD-Gruppe siehe http://info.msd.de/pf= lichtangaben

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by: Bin Sun [sunbinxod~!~gmail.com] --047d7b5d98e5c3a60504e0cf0588 Content-Type: text/plain; charset=ISO-8859-1 Hello Everyone, I want to achieve all the possible conformations corresponding to the minimums on the potential surface of a ligand_like molecule. To this end, I firstly need to generate as many as possible conformers by rotating the rotatable bonds via some tools or software; Secondly, A sifting stage is performed in which the "bad" conformers having unfavorable energies are excluded. To ensure that there are no important conformations being omitted. the conformer database generated in the first step must be as completed as possible. Is there any tool or software that can generate completed conformer database for ligand_like molecules ? Thanks ! -Sun --047d7b5d98e5c3a60504e0cf0588 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable

Hello Everyone,

I want to achieve all t= he possible conformations corresponding to the minimums on the potential su= rface of a ligand_like molecule.

=A0To= this end, I firstly need to generate as many as possible conformers by rot= ating the rotatable bonds via some tools or software; Secondly, A sifting s= tage is performed in which the "bad" conformers having unfavorabl= e energies are excluded. To ensure that there are no important conformation= s being omitted. the conformer database generated in the first step must = =A0be as completed as possible.=A0

Is there any tool or software that can gene= rate completed conformer database for ligand_like molecules ?

Thanks !

-Sun

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