From owner-chemistry@ccl.net Fri Mar 8 08:44:00 2013 From: "Alex Allardyce aallardyce++chemaxon.com" To: CCL Subject: CCL: Program announcement: ChemAxon's EUGM, May 28-29, 2013, Budapest, Hungary Message-Id: <-48392-130308045504-6758-brIY9QqGpauglyPcbP7rnA-.-server.ccl.net> X-Original-From: Alex Allardyce Content-Type: multipart/alternative; boundary="----=_Part_15953_545636463.1362736487880" Date: Fri, 8 Mar 2013 10:54:47 +0100 (CET) MIME-Version: 1.0 Sent to CCL by: Alex Allardyce [aallardyce-*-chemaxon.com] ------=_Part_15953_545636463.1362736487880 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable Excuse cross postings=20 We are announcing the program and calling for participants for ChemAxon's 2= 013 European User Group Meeting, to be held on Tuesday and Wednesday, May 2= 8-29 at the Hotel Novotel Budapest Centrum, Budapest, Hungary.=20 Visit the program=20 We are trying a slightly new program style to coincide with the launch of M= arvin and JChem version 6.0, to be unveiled at the meeting. We break the pr= ogram into 3 sessions focusing on User Interface , Platform and Science wit= h a mix of ChemAxon and user presentations. We will also have our regular l= ightning presentations/exhibition from ChemAxon Partners and plenty of brea= ks and social events for networking with peers and ChemAxon staff.=20 Based on the great success of our 2011 event, we return our Gala Dinner to = the Sz=C3=A9chenyi Bath House for stylish enjoyment of these excellent heal= th waters and opulent ambience. Our house DJ (Yoshiko Matsumoto of Patcore)= and band (Malacka =C3=A9s a Tah=C3=B3) will be laying down the soundtrack.= Attendees should be bringing swimwear, robes and flip flops will be provid= ed.=20 To find out more about the event see the meeting page and register . To rev= iew the archives of previous meetings, including original presentations (sl= ides and video) and meeting reports from Wendy Warr and Yvonne Martin visit= the archive .=20 We look forward to seeing you here.=20 UGM Satellite meetings:=20 Developer and Application Focus training - Monday May 27th, all day=20 Prior to the UGM will be a 2 track developer and application focus (end use= r) Training Day. For developers we have a tutorial/code session and for end= users we have a hands-on training. Topics will include major new developme= nts and training on existing and new applications. The program is still und= er development.=20 * Application Focus (End user) Training details=20 * Developer Training details=20 One to One session=20 Monday May 27th, late afternoon=20 Leading into the Garden party on Monday night, we host the 1-2-1 at the Che= mAxon offices to let users meet with ChemAxon staff to discuss scientific, = technical or business issues. ------=_Part_15953_545636463.1362736487880 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable <= div style=3D'font-family: arial,helvetica,sans-serif; font-size: 12pt; colo= r: #000000'>
Excuse cross postings

We are announci= ng the program and calling for participants for ChemAxon's 2013 European Us= er Group Meeting, to be held on Tuesday and Wednesday, May 28-29 at th= e Hotel Novotel Budapest Centrum, Budapest, Hungary.

Visit the program

We are trying a slightly new program s= tyle to coincide with the launch of Marvin and JChem version 6.0, to be&nbs= p;unveiled at the meeting. We break the program into 3 sessions focusi= ng on User Interface, Platform and Science with a mix of ChemAxon an= d user presentations. We will also have our regular lightning pre= sentations/exhibition from ChemAxon Partners and plenty of breaks and socia= l events for networking with peers and ChemAxon staff.

Based on the great success of our 2011 event, we retur= n our Gala Dinner to the Sz=C3=A9chenyi Bath House for stylish enj= oyment of these excellent health waters and opulent ambience. Our= house DJ (Yoshiko Matsumoto of Patcore) and band (Malacka =C3=A9s a Tah=C3= =B3) will be laying down the soundtrack. Attendees should be bringing swimw= ear, robes and flip flops will be provided.

To find out more about the event see the meeting page and register. To review the archives of previous meet= ings, including original presentations (slides and video) and meeting repor= ts from Wendy Warr and Yvonne Martin visit the archive<= span style=3D"color: rgb(80, 80, 80); font-family: Helvetica; font-size: 14= px; line-height: 21px; background-color: rgb(255, 255, 255);">.

We look forward to seeing you here.
UGM Satellite meetings:

Developer and Application Focus training - Monday May 27th, all day
Prior to the UGM will be a 2 track developer and applicati= on focus (end user) Training Day. For developers we have a tutorial/code se= ssion and for end users we have  a hands-on training. Topics will incl= ude major new developments and training on existing and new applications. T= he program is still under development.
One to One s= ession
Monday May 27th, late afternoon
Leading into the Garden party on Monday night,= we host the 1-2-1 at the ChemAxon offices to let users meet with ChemAxon = staff to discuss scientific, technical or business issues. 
------=_Part_15953_545636463.1362736487880-- From owner-chemistry@ccl.net Fri Mar 8 11:08:00 2013 From: "zhimin huang zmhuang2009**gmail.com" To: CCL Subject: CCL: ASD: a comprehensive database of allosteric proteins and modulators. Message-Id: <-48393-130308104543-21052-ycCYwKYY4bRIJvLBREA+YQ]~[server.ccl.net> X-Original-From: "zhimin huang" Date: Fri, 8 Mar 2013 10:45:42 -0500 Sent to CCL by: "zhimin huang" [zmhuang2009:_:gmail.com] Our group developed the AlloSteric Database (ASD), the first online database which provides a central resource for the display, search and analysis of the structure, function and related annotation for allosteric molecules. It was published in Nucleic Acids Research (2011) Database Issue 39: D663-D669 (http://www.ncbi.nlm.nih.gov/pubmed/21051350). The regularly updated ASD v2.0 has expanded to 888 allosteric proteins, 544 allosteric diseases and 16212 allosteric modulators. Up-to-date classification and experimentally validated allosteric pathway have been integrated in the allosteric proteins. Structural pairs of orthosteric and allosteric sites in the allosteric proteins were added for researchers to develop allosteric pathway tools in terms of community demands. Allosteric DNAs and RNAs with experimental verification were added to ASD v2.0 as new types of targets. These updates are useful for facilitating the investigation of allosteric mechanism, allosteric target identification, and allosteric drug discovery. ASD v2.0 is freely available at http://mdl.shsmu.edu.cn/ASD/. From owner-chemistry@ccl.net Fri Mar 8 15:34:00 2013 From: "Guenter Grethe ggrethe:_:att.net" To: CCL Subject: CCL: 2013 CINF-RSC Scholarships for Scientific Excellence - Reminder Message-Id: <-48394-130308141110-31882-ZpwEgrQkDr84s6IaJPc1SA-$-server.ccl.net> X-Original-From: "Guenter Grethe" Date: Fri, 8 Mar 2013 14:11:09 -0500 Sent to CCL by: "Guenter Grethe" [ggrethe**att.net] 2013 CINF Scholarship for Scientific Excellence Sponsored by the Royal Society of Chemistry The scholarship program of the Division of Chemical Information (CINF) of the American Chemical Society (ACS) funded by the Royal Society of Chemistry (RSC) is designed to reward graduate and postdoctoral students in chemical information and related sciences for scientific excellence and to foster their involvement in CINF. Up to three scholarships valued at $1,000 each will be presented at the 246th ACS National Meeting in Indianapolis, IN, September 8 September 12, 2013. Applicants must be enrolled at a certified college or university, and they will present a poster during the Welcoming Reception of the Division on Sunday evening at the National Meeting. Additionally, they will have the option to also show their poster at the Sci-Mix session on Monday night. Abstracts for the poster must be submitted electronically through PACS, the abstract submission system of ACS. To apply, please inform the Chair of the selection committee, Guenter Grethe at ggrethe,,att.net that you are applying for a scholarship. Submit your abstract to http://abstracts.acs.org using your ACS ID. If you do not have an ACS ID, follow the registration instructions and submit your abstract in the CINF program for the session CINF Scholarship for Scientific Excellence. PACS will be open for abstract submissions from January 21 to March 18, 2013. Additionally, please send a 2,000-word abstract describing the work to be presented in electronic form to the Chair of the selection committee by June 30, 2013. Any questions related to applying for one of the scholarships should be directed to the same e-mail address. Winners will be chosen based on contents, presentation and relevance of the poster and they will be announced during the reception. The contents shall reflect upon the students work and describe research in the field of cheminformatics and related sciences. Winning posters will be marked Winner of RSC-CINF Scholarship for Scientific Excellence at the poster session. Guenter Grethe