Cerep Provides Services In Pharmacology, Biology, And Chemistry Provides services in pharmacology, in molecular biology and lead development, in toxicology, metabolism and bio-availability, in combinatorial chemistry, HTS, HTP, HTLD and computational chemistry. http://www.cerep.fr/
Extractions: Cerep provides services in pharmacology, in molecular biology and lead development, in toxicology, metabolism and bio-availability, in combinatorial and computational chemistry, HTS, HTP, HTLD. cerep is recognized as the partner of choice for drug discovery and development by pharmaceutical and biotech companies throughout the world. Through its laboratory located near Poitiers (France), Cerep provides services in molecular and cellular pharmacology. Additional services in molecular biology and pharmaceutical profiling are now available from its state-of-the art laboratory in Redmond (Washington, USA). cerep provides scientific studies developed and tailored to the requirements of the Industry. The purpose of these studies is to contribute to the selection and development of new molecules or to the evaluation of existing drugs. BioPrint™ is a powerful tool for drug discovery. BioPrint™ consists of a proprietary database, predictive models and software tools for data visualization, analysis and searching. The BioPrint™ Database is used to generate predictive models based on correlations between molecular features and patterns of biological activity.
Extractions: Your online resource for biotechnology, pharmaceutical, medical devices and life sciences industries. Advertise on this site Search in jobs only (posted 28/10/2010) D. E. Shaw Research , New York, New York, United States Extraordinarily gifted computational chemists, biologists, and other computational scientists are sought to join a New York–based interdisciplinary research group that is pursuing an ambitious, long-term strategy aimed in part at fundamentally transforming the process of drug discovery. We are eager to add both senior- and junior-level members to our world-class team, and we are prepared to offer above-market compensation to candidates of truly exceptional ability. To submit an application, please use the link provided below: http://www.deshawresearch.com/recruit/jobs/Ads/LSW/Chem D. E. Shaw Research does not discriminate in employment matters on the basis of race, color, religion, gender, pregnancy, national origin, age, military service eligibility, veteran status, sexual orientation, marital status, disability, or any other protected class. Learn more on their website Back to jobs list About us Terms of service ... Contact Visit our sister site BreakThroughDigest.com
Welcome To Dr. Hooman Shadnia's InfoLink Dedicated to artificial neural networks and their applications in medical research and computational chemistry. Offers a quick tutorial on theory on ANNs written in Persian. http://www.shadnia.com
VeraChem LLC Illustrates firm that designs molecular modeling applications utilized by scientists in computational chemistry tasks. http://verachem.com
Extractions: Vcharge calculates accurate, conformation- independent, "ab initio-like" partial atomic charges for an SDfile of drug-like compounds in ~0.1 second per compound. It is useful for a wide range of modeling and QSAR applications. - All VeraChem software is free for academic and nonprofit use - designed by nextdaysite.com
The Compton Group Website AFM, sonochemistry, fast voltammetry, photochemistry, electroanalysis, and computational chemistry. Click Data Analysis button for access to working curves for various mechanisms online. http://compton.chem.ox.ac.uk
Extractions: Understanding electrochemical processes is key to developing energy storage and conversion devices (fuel cells, solar cells, batteries) as well as being at the heart of much of modern biology and nanotechnology. At the same time electrochemical sensors provide sensitive, selective, clean and easy to use approaches to the detection and monitoring of many important chemical species (gas sensors, blood sugar, pH). The Compton Group has interests ranging from fundamental electrochemistry (theory of electron transfer and of mass transport) to making chemical sensors; the companies Senova and OxTox have spun out of Group research in recent years. Current work also focuses on electrochemistry in nanoelectrodes, room temperature ionic liquids and in bioelectrochemistry. We adopt a bottom-up approach developing new methods to investigate the kinetics and mechanisms of interfacial reactions. The group has a strong history in producing outstanding Part II and D.Phil. theses. The work of the group is at the forefront of international research and our students all contribute to this from day one. We have a wide range of interests within dedicated experimental and theoretical subgroups. This website enables you to explore some of our research, our publications (and books) and to see the scientists in, and collaborating with the Group.
Aspuru-Guzik Research Group - Alán Aspuru-Guzik Studies the connections between quantum computation and chemistry, theoretical studies of renewable energy materials, and method development for density functional theory and quantum Monte Carlo (Harvard University). http://aspuru.chem.harvard.edu/
Journal Of Molecular Modeling Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, structure and substructure search), materials modeling, new methods, and computational chemistry in an interdisciplinary manner and within very short publication times. http://www.springer.com/chemistry/journal/894
Extractions: Basket USA Change New User Login Subjects Services About us Company Information Mission Statement Management Annual Reports Key Facts ... Locations Worldwide What we do Publishing Fields Springer and Open Access Springer in China Developing Countries Initiative Press Press Releases Springer Select Media Kit and Downloads Career All Job Vacancies Trainee-Programs / Editorial Trainees Internships Vocational Training There are no results matching your search terms.
Journal Of Theoretical And Computational Chemistry (JTCC) Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems. http://www.worldscinet.com/jtcc/jtcc.shtml
Extractions: This year, Journal of Theoretical and Computational Chemistry (JTCC) celebrates its 18th year of publication. The Editors would like to take this opportunity to let their peers and the scientific community in general to explore and learn more about this peer reviewed, ISI-indexed journal. You can now enjoy free access to the articles of JTCC Volume 9 (2010) from June to December 2010 . Do share this news with colleagues and students. World Scientific is proud to announce the launch of a new online submission system
ScienceDirect - Journal Of Molecular Graphics And Modelling, Volume 29, Issue 2, Publishes original research on the development and application of molecular modelling in the study of molecular structure, function, interactions and design, including computational chemistry, protein and polymer engineering, pharmaceutical design, structural biology and materials design. http://www.sciencedirect.com/science/journal/10933263
Extractions: About this Journal Submit your Article Shortcut link to this Title ... New Article Feed Signed up for new Volumes / Issues [ remove Alert me about new Volumes / Issues Your selection(s) could not be saved due to an internal error. Please try again. Added to Favorites [ remove Add to Favorites Font Size: Add to my Quick Links Volume 29, Issue 2, Pages 115-294 (September 2010) = Full-text available = Abstract only Articles in Press Volume 29 (2010) Volume 29, Issue 2 - selected
SpringerLink - Journal Of Computer-Aided Molecular Design Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes theoretical chemistry, computational chemistry, computer and molecular graphics, molecular modeling, protein engineering, drug design, expert systems, general structure-property relationships, molecular dynamics, and chemical database development and usage. http://www.springerlink.com/content/102928/
Extractions: Username Password Remember Me Forgot your Password? Register Now Log In via Shibboleth or Athens springer.com ... springerprotocols.com Choose preferred language English Deutsch SpringerLink You have Guest access. What can I do as a guest? Search Basic Search Search For All Content Author or Editor Publication Volume Issue Page Advanced Search Content Search For Full Text Title Only DOI Author Editor Citation Publication (Title, DOI ISSN or ISBN Volume Issue Page Category and Date Limiters Content Category All Categories Only Journals Only Books Only Protocols Entire Range of Publication Dates Select date range Publication Dates Between Start Date AND End Date Order of Results Most Relevant First Most Recently Published First Alphabetical Chemistry and Materials Science Volume 1 / 1987 - Volume 24 / 2010 Formerly merged with Perspectives in Drug Discovery and Design (1993-2000) Articles available before print publication Viewing items 1 - 10 of 11 Search within Filter Results
Journal Of Computational Chemistry - Wiley Online Library Publishes original articles on ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics. http://www3.interscience.wiley.com/journal/33822/home
Extractions: document.documentElement.className = "js_en"; Skip to Main Content Home Help LOGIN Enter e-mail address Enter password REMEMBER ME Edited by: Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki and Peter R. Schreiner Impact Factor: 3.769 Online ISSN: See all Automatic analysis of computed catalytic cycles Andreas Uhe, Sebastian Kozuch and Sason Shaik A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers
UNC Charlotte | Department Of Chemistry Provides undergraduate and graduate programs including organic, analytical, biochemistry, nanoscale-science, materials science and computational chemistry. http://chemistry.uncc.edu/
EMSL Gaussian Basis Sets Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory. http://www.emsl.pnl.gov/forms/basisform.html
Extractions: Chemdraw Spartan RSC Review ... Spartan Versions "Spartan is a powerful and easy to use software package. In instruction and research, it has proven to be an exciting new addition to our program." More testimonials. What makes Spartan an essential purchase? Click here to find out. Request a trial version UK: 02890 320736 IRL: 04890 320736 As well as offering web access to the US NIST (National Institute of Standards and Technologies) IR spectra and UV databases and the University of Cologne NMR database, Spartan also offers the ability to calculate IR spectra, NMR spectra and UV spectra of molecules. It is also capable of calculating NMR chemical shifts using the Hartree-Fock and Density Functional Theory methods. NMR chemical shift calculations are available for Hartree-Fock and included in Spartan.
Prof. Dr. G. Bringmann (LS I): Startseite Marine natural products. New antimalarial agents. Tropical Plant Compounds. Neurodegeneration. Natural product synthesis. Computational Chemistry. http://www-organik.chemie.uni-wuerzburg.de/lehrstuehlearbeitskreise/bringmann/st
Extractions: Ancistrocladinium A News Wirkstoffe gegen Malaria Afrikanische Pflanzen aus der Familie der Affodill-Gewächse enthalten interessante Naturstoffe: Einige davon wirken im Laborversuch gegen Malaria-Erreger und Tumorzellen. Professor Gerhard Bringmann von der Universität Würzburg erforscht diese Naturstoffe; er kooperiert dabei mit den Universitäten... Exzellenzstipendien für den Kongo Die Universität Würzburg baut ihre partnerschaftlichen Beziehungen in der Demokratischen Republik Kongo aus. Nach der Universität Kinshasa besteht jetzt auch mit der Katholischen Universität Graben ein Kooperationsvertrag. Dass diese Partnerschaften leben, zeigt die Tatsache, dass inzwischen 24... Dechema-Posterpreis für Barbara Hertlein Mit dem Preis für das beste Poster wurde Barbara Hertlein aus unserem Arbeitskreis für ihr Poster "Total Synthesis, Stereostructures, and –dynamics of Novel N,C-Coupled Naphthylisoquinolines' bei den 22. Irseer Naturstofftagen der Dechema vom 24.-26. Februar 2010 im Kloster Irsee... Neue Wirkstoffe gegen Infektionskrankheiten Neue Ansätze zur Bekämpfung von Infektionskrankheiten standen im Mittelpunkt eines Symposiums, das Anfang Oktober an der Uni Würzburg stattgefunden hat. Mehr als 100 Teilnehmer nutzten die Gelegenheit, mit weltweit führenden Forschern aktuelle wissenschaftliche Ergebnisse zu diskutieren. Dazu...
Virtual Computational Chemistry Laboratory Free on-line calculation of lipophilicity, logP, aqueous solubility, logS, molecular indices using Java applets. Analysis methods include neural networks, partial least squares and unsupervised forward selection. http://www.vcclab.org
Extractions: This site provides free on-line tools, which we hope you will find helpful in performing computational chemistry, ADME/T and chemoinformatics tasks including the building and visualisation of chemical structures, the calculation of molecular properties and the analysis of relationships between chemical structure and properties. All these tools are developed, provided and supported by the VCCLAB partners Please feel free to browse our site and take advantage of the various on-line cheminformatics services provided. However, the calculation algorithms are running on remote servers, communicating via the Internet, so we are unable to control the speed of access to these services. An overview of on-line WWW resources for Phys-Prop calculations is also available.
Main Page - Avogadro - Free Cross-platform Molecule Editor Open source advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers flexible rendering and a powerful plugin architecture. http://avogadro.openmolecules.net/
Department Of Chemistry Programs in the core areas of chemistry organic, inorganic, analytical, biological, and physical and graduate research in the interdisciplinary areas of life sciences; materials; polymers; surface chemistry; computational chemistry and nanofabrication and devices. Offers details of course and degree programs, seminars, news and faculty. http://www.chem.psu.edu/
