ysbl.york.ac.uk
FBLD 2014
http://www.ysbl.york.ac.uk/fbld/2014
Fragment-based Lead Discovery Conference 2014. Basel, Switzerland, September 21. Welcome to FBLD 2014. Registration is now closed - the conference is FULL! Scientific program now available. FBLD 2014 will be held in Basel from 21-24 Sep 2014. This will be THE premiere fragment-based discovery conference for 2014 - organised by scientists for scientists. FBLD 2014 is being organised locally by Michael Hennig, Roche, and Wolfgang Jahnke, Novartis. And a flyer is available to download ( PDF. Back to the Top.
ysbl.york.ac.uk
FBLD 2016
http://www.ysbl.york.ac.uk/fbld/2016
Fragment-based Lead Discovery Conference 2016. Cambridge, Massachusetts, October 9. Welcome to FBLD 2016 - NEWS: Draft speaker schedule now available - PDF. FBLD2016 will be held in Cambridge, Mass from 9-12 October 2016. This will be THE premiere fragment-based discovery conference for 2016 - organised by scientists for scientists. FBLD2016 is being organised locally by Nathan Fuller of Rodin Therapeutics and Joe Patel of C4 Therapeutics. A flyer is available to download ( PDF. REGISTRATION IS NOW OPEN.
cheminformaticscode.blogspot.com
Cannomics: July 2010
http://cheminformaticscode.blogspot.com/2010_07_01_archive.html
Saturday, 31 July 2010. This may seem obvious. For some, it may be obvious / straight forward to implement, however the number of times I have been approached to ask for a script to transform the output of integer based fingerprints, such as MACCS keys or pharmacophore fingerprints coming out of MOE. So here is a useful script that will convert integer based fingerprints into binary fingerprints. Init (self,descriptorFile,outputFile,label):. InputFile = open(self.iFile, 'r'. Replace( "]", ". After removi...
macinchem.org
Mac OS X Applications D-I | Macs in Chemistry
http://www.macinchem.org/applications/d-i.php
Mac OS X Applications D-I. Dalton :- Molecular electronic structure. Is a powerful molecular electronic structure program, with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory. First- and second-order methods for geometry optimizations. Robust second-order methods for locating transition states. Constrained geometry optimizations; bonds, angles and dihedral angles can be fixed during optimizations. DataGraph:- 2D data analysis and plotting.
acscomp.org
Sponsors - ACS COMP Division
http://www.acscomp.org/division/sponsors
About The COMP Division. Officers in Past Years. J Chem. Theory and Comput. J Chem. Info. and Modeling. Journal of Molecular Graphics and Modeling. Annual Reports in Computational Chemistry (ARCC). Reviews in Computational Chemistry. ACS Award for Computers in Chemical and Pharmaceutical Research. The Chemical Computing Group Excellence Award for Graduate Students. The OpenEye Outstanding Junior Faculty Award in Computational Chemistry. The Wiley Computers in Chemistry Outstanding Postdoc Award.
csardock.org
CSARdock.org - Home
http://www.csardock.org/MainContent?page=LoginService.jsp
Cannot access your account? Search by PDB Id (use * as wildcard). My company has many large datasets for targets we are no longer pursuing. What will we gain by depositing that data in CSAR? I would like to deposit data, but my protein target doesn't quite meet all of the desired criteria. Is that OK? Phase 1 Answer Key. 01 FXA gtc101 Answer: 146. 02 FXA gtc398 Answer: 190. 03 FXA gtc401 Answer: 37. 04 SYK gtc224 Answer: 116. 05 SYK gtc225 Answer: 51. 06 SYK gtc233 Answer: 71. 07 SYK gtc249 Answer: 48.
cadd-moe.org
MOE软件介绍
http://www.cadd-moe.org/moe.html
MOE, Discovery Studio, SYBYL-X. 在 计算机辅助药物设计 的研究中，尤其是 同源模建. 研究的所有操作，从描述符的计算、选择、聚类、分类到预测模型的建立、评估到测试集的评估等等，同时 计算机辅助药物设计 中的 分子库设计. Protein Ligand Interaction Fingerprints. Databases Distributed with MOE.
molekulamodellezes.lap.hu
Molekulamodellezés - Külföldi cégek. A legjobb válaszok profiktól.
http://molekulamodellezes.lap.hu/kulfoldi_cegek/25596764
Legyen a Startlap a kezdőlapom. Http:/ molekulamodellezes.lap.hu/. ACD Labs (ADMET Prediction). Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! Chemical Computing Group (MOE). Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! Ezt a linket add a Startlaphoz! National Geographic Channel Magyarország. Molekulamodellező kurzus anyaga - Hetényi Csaba. Molekulák megjelenítése - PyMol.
biofuels.mines.edu
Maupin Research Group, News
http://biofuels.mines.edu/NEWS/news.html
Congradutations to Jason, and Nicholas for their publicaton in PCCP, (2015). DOI: 10.1039/C5CP06066D. Congradutations to Corey for his publicaton in J. Phys. Chem. C., (2015). DOI: 10.1021/acs.jpcc.5b06857. Congratulations to Vivek, Nathaniel (REU student), and Nicholas (REU student) for their publication in ChemPhysChem, (2015) DOI: 10.1002/cphc.201500543. Congratulations to Vivek who is now a postdoctoral researcher at NREL (Fall). Dr Maupin gave an ivited talk to the Chemistry Department at Washington...
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