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Showing posts with the label Computational chemistry

3 Days Hands on Workshop on Chemoinformatics

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  Is organizing 3 Days Hands on Workshop in Chemoinformatics  18 th  November to 20 th  November 2016.  Chemoinformatics is a rapidly developing branch of chemistry. In the coming days the students who have studied Chemoinformatics will be required not only in India but in foreign countries too! The requirement of trained manpower from the discipline such as Chemistry, Biology and Microbiology is the fuel for the growth of Chemoinformatics. The development of Chemoinformatics needs a workforce with a solid background in chemistry and an expertise of the available computer technology. Application of Chemoinformatics is in areas like Agrochemical, pharmaceutical and biotechnological industries, Computational chemistry and library design groups, Chemical software companies, Database developers, Chemical publishers, In-silico Drug Discovery, Toxicity predictions, ADME prediction of Molecules, Chemicals Vendors , R&D, etc Salient Features of the Work...

Data manager in computational material science

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wwwtilda Data manager in computational material science Introduction Tilde (wwwtilda, ~) is a data manager in cheminformatics and computational material science. The nowadays situation in these disciplines with a plenty of incompatible data formats is rather confusing. Furthermore a new approach to the scientific data verification and exchange is desired because the traditional peer-reviewed journals and their supplementary materials sections do not solve this task properly. Therefore Tilde aims to simplify data processing and exchanging for the scientists, dealing with popular computer simulation packages in material science (e.g.  VASP ,  CRYSTAL ,  WIEN2K  etc). Now the text outputs of these programs can be collected, and the calculated results therein can be visualized. The example focus is on phonon properties of the crystalline materials: vibrational spectra, band structures, densities of states, vibrational patterns visualization etc. Moreover Ti...

“Research Associate” under the J C Bose Fellowship DST,Govt. of India.

Applications are invited for “Research Associate” under the J C Bose Fellowship Project of DST,Government of India. Name of the Post :  Research Associate Qualification & Experience :  Ph.D.with minimum of 55% marks in M Sc (Theoretical and Computational Chemistry, and allied areas in Biology). Those who have submitted PhD thesis may also apply. Preference will be givento those with published research work of high quality. Salary :  Rs. 22,000/-plus HRA per month. Age :  The upper age limit 35 years on 16.03.2012. A relaxation of 5 years is applicable to candidates belonging to SC/ST/OBC andwomen candidates. Duration :  One Year (extendable for another year, on review of performance) How to apply:  The application should follow the format provided (click here for / format) with this advertisement in the web site ( www.iisertvm.ac.in/ appointments/projects ). Incomplete applications or those that do not meet the minimum criteria will not be ...

4th National Symposium cum Workshop on "Recent Trends in Structural Bioinformatics and Computer Aided Drug Design"

Greetings from Department of Bioinformatics, Alagappa University It gives us immense pleasure to announce that the Department of Bioinformatics, Alagappa University, Karaikudi is organizing 4th National Symposium cum Workshop on “Recent Trends in Structural Bioinformatics and Computer Aided Drug Design [SBCADD’2012]” during Feb 20th – 23rd, 2012. The motive of the National symposium cum workshop is to provide theoretical and practical exposure of Structural Bioinformatics and Computer Aided Drug Design among academicians and technocrats in order to cater the industrial and academic need. We have invited eminent personalities from reputed organizations, who will enlighten the participants in the related fields. Please download the brochure containing information and registration details along with this invitation for your kind perusal. We extend humble invitation to you and your colleagues to participate actively in the workshop and make it a big success. It will be appreciated if you c...

BioFocus Extends Contract with Amgen

Belgian biotech firm Galapagos today announced its BioFocus service division has extended a contract with Amgen through 2012 to include target discovery and validation work. The extension will include the use of BioFocus' target discovery platform to deliver novel targets to support Amgen's therapeutic programs. Galapagos will receive €2 million ($2.6 million) in research fees in the first year, under the terms of the deal. It is also eligible for access fees and milestone payments. Originally forged in 2002, the collaboration between BioFocus, which Galapagos acquired in 2005, and Amgen involves identifying new molecules against drug targets. The partnership was extended in 2006 and 2008. BioFocus' discovery platform includes the use of  in vitro  and cell-based screening, structural biology, and chemogenomic and informatics tools.

Artificial neural networks-based approach to design ARIs using QSAR for diabetes mellitus

In this article, in the first part, we propose an artificial neural network-based intelligent technique to determine the quantitative structure-activity relationship (QSAR) among known aldose reductase inhibitors (ARIs) for diabetes mellitus using two molecular descriptors, i.e., the electronegativity and molar volume of functional groups present in the main ARI lead structure. We have shown that the multilayer perceptron-based model is capable of determining the QSAR quite satisfactorily, with high  R -value. Usually, the design of potent ARIs requires the use of complex computer docking and quantum mechanical (QM) steps involving excessive time and human judgement. In the second part of this article, to reduce the design cycle of potent ARIs, we propose a novel ANN technique to eliminate the computer docking and QM steps, to predict the total score. The MLP-based QSAR models obtained in the first part are used to predict the potent ARIs, using the experimental data reported by Hu...

Several positions open at Polyclone, Biobase, ocimumbio...

Several position http://www3.ocimumbio.com/about/careers/ http://www.mgrc.com.my/careers.shtml http://www.biobase-international.com/index.php?id=400 http://www.polyclonebio.com/opportunities.html http://www.genedata.com/company/careers/ch-gdp-2006.html http://www.biomatters.com/default,24,careers.sm http://www.atgclabs.com/Jobs.html http://www.clcbio.com/index.php?id=12 XTractor Premium - A Platform for discovery , knowledge sharing, analysis and modelling of published biomedical facts. The only Knowledgebase which provides "manually" annotated facts from PubMed on a weekly basis Innovative Features like Semantic Search , Concept Linking , Bibliographic search , Save, Export and Visualize Only Knowledgebase with daily updations from PubMed XTractor Premium now at an Special Introductory Offer. Subscribe now and save! Request for a Trial

CambridgeSoft's Business Partner in Kochi, India is hiring

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CambridgeSoft's Business Partner in Kochi, India is hiring for multiple positions. The following is a list of available positions: Lead Developer - Desktop - ChemBio3D (Kochi, India) Developer - Enterprise - Network Communication and Distributed Computing (Kochi, India) Developer - Desktop - User Interface (Kochi, India) Developer - Desktop - Numerical Methods (Kochi, India) Lead Developer - Enterprise - Inventory (Kochi, India) Lead Developer - Enterprise (Kochi, India) Developer - Enterprise - (C++) (Kochi India) Developer - Enterprise - E-Notebook Support Analyst (Kochi, India) Developer - Desktop - ChemDraw (Kochi, India) Lead Developer - Enterprise - E-Notebook (Kochi, India) Developer - Enterprise - Database Specialist (Kochi India) Developer - Desktop – Core Chemistry Team (Kochi India) Developer - Desktop - Chemical Database (Kochi, India) All positions in Kochi, India are full time with our business partner. Details can be found online at: h...

GNA-glycerol nucleic acid—a synthetic analog of DNA

Biodesign Institute colleague John Chaput is working to give researchers brand new materials to aid their designs. In an article recently published in the Journal of the American Chemical Society, Chaput and his research team have made the first self-assembled nanostructures composed entirely of glycerol nucleic acid (GNA)—a synthetic analog of DNA. “Everyone in DNA nanotechnology is essentially limited by what they can buy off the shelf,” said Chaput, who is also an ASU assistant professor in the Department of Chemistry and Biochemistry. “We wanted to build synthetic molecules that assembled like DNA, but had additional properties not found in natural DNA.” The DNA helix is made up of just three simple parts: a sugar and a phosphate molecule that form the backbone of the DNA ladder, and one of four nitrogenous bases that make up the rungs. The nitrogenous base pairing rules in the DNA chemical alphabet fold DNA into a variety of useful shapes for nanotechnology, given that "A...

Computational chemistry is now, any child's play!

"SimBioSys, announces that their 'eHITS Lightning' program Redefines the State-of-the-art for Structure-Based Virtual Screening" Also have successfully tested and run, eHiTS lightning on a Sony Playstation3. Isn't that amazing! PlayStations to support computational chemistry

Productivity tools-Simulation Software Selected as Application of Choice by Premier Pharmaceutical Company

A leading provider of software for pharmaceutical discovery and development, today announced that the pharmacokinetics , dynamics, and metabolism science board at a top three pharmaceutical company named its software an "application of choice." As pharmaceutical companies face a significant number of patent expirations in the near future, there is a need to become more aggressive in research and development to fill the pipeline, sometimes with reduced R&D staff. Productivity tools in the field of pharmacokinectics , ADMET , chemical data visualization and analysis , etc. that leverage the expertise of the industry's scientific teams. It is believed that the difficulties facing some parts of the pharmaceutical industry will result in greater use of such tools as managers realize that the savings in time and money that can be achieved through their application vastly exceeds the cost of obtaining and learning to use them.