News

FQS Poland would like to invite you to our exposition booth at the 23rd International Liquid Crystal Conference. The conference will take place at the Auditorium Maximum of the Jagiellonian University (Krakow, Poland). We would like to take this occasion to present LiqCryst application, which allows easy access to a unique database of structures and properties of liquid crystalline compounds.

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Seminar/presentation for researchers interested in implementation of a in silico system in toxicology and pharmacology. Learning Objectives:

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LiqCryst 4.8 is a MS-Windows-based application that allows for easy access to a unique database of structures and properties of liquid crystalline compounds. The LiqCryst database contains information about currently known thermotropic liquid crystalline compounds. Structures and associated data for about 93,000 compounds have been collected from about 95,000 references. LiqCryst provides all available physical data and also allows graphical statistical analysis - e.g. of the change of phase transition temperatures in homologous series - and predictions of transition temperatures depending on structure.

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The Workshop will be devoted to the latest achievements and developments in the fields of new biomimetic materials, polyelectrolytes, biopolymers and interfacial dynamics, especially molecular designing of new soft nanomaterials of controlled architecture. We will give a lecture about semiempirical quantum-mechanical protein modeling and ligand docking.

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FQS Poland traditionally cooperates with the Jagiellonian University to promote new talents and help the Chemistry Department's graduates in their future career. As every year the two best master thesis will be honored by a special reward. The event will take place on the 25-26th of May 2010, at the Chemistry Department of the Jagiellonian University, Cracow.

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Visit our booth at the VII Drug Science Multidisciplinary Conference in Zakopane on the 10-12.05.2010. Please also listen to our lecture about semiempirical quantum-mechanical protein modeling and ligand docking.

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Fujitsu is pleased to announce the new versions of SCIGRESS. For release notes, click here

The LifeScience Cluster in Krakow is one of the most rapidly growing initiatives in the region and Poland. It has been established in October 2006 as collaborative project of 32 institutions representing business, science and healthcare with active support, guidance and facilitation by local government. Its mission is to support innovation and sustain “The Life Science Network” to enable effective global connectivity and optimization of existing potential of individuals and organizations.

For more information regarding LifeScience Cluster Krakow please visit http://www.lifescience.pl

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: 77 960 entries:

We are pleased to announce the new versions of SCIGRESS. For release notes, click here

SCM proudly announces the 2009 release of ADF and BAND. ADF2009 builds on ADF's strengths in spectroscopic properties (adding magnetic circular dichroism, resonance Raman, Mössbauer, NRVS), chemical analysis (ETS-NOCV, partial DOS, ELF and AIM for solids), chemical reactivity, transition metals and heavy elements. Support for the latest exchange-correlation functionals (hybrid, meta-GGA, dispersion-corrected) has been significantly increased for improved accuracy in spectroscopy, transition states and weakly bound systems. Improved SCF convergence methods, the Mobile Block Hessian method, and support for multi-layer calculations enable studying difficult potential energy surfaces of larger molecules. For release notes, click here.

We would like to invite you to our booth and a lecture: “A QSAR approach in Environmental Studies”.

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Now Cell Illustrator can be run directly from the website, without the need to install software on local computer. The new CI Online server offers several web services, such as Project Manager and CSMLDB Search accessible form CI workspace. A new compute engine (SECG) allows running batch parameterized simulations. The SECG generates source code from the CSML model displayed in CI workspace. Additionally a new native file format CSML 3.0 was implemented, allowing to store biological properties.

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FQS Poland is glad to invite you to a special training organized in the cooperation with the Gdansk University. The meeting is aimed to chemists, physical chemists and materials science specialists interested in implementing molecular dynamics in their research. The meeting will take place on 19.06.2010, at the Chemistry Department of the Gdansk University. The training will consist of lecture and hands-on trainings with the Fujitsu Materials Explorer software.

FQS Poland will take part in the Jagiellonian University's Master Thesis Contest 2009, as one of the sponsors. As every year the two best master theses will be honored by a special reward. The event will take place on the 2-3.06.2009.

For more information please click here.

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: 61 859 entries: