Polska

Strona Główna

Printable Version

Back to Previous Page

News


2016-04-27: SCIGRESS 2.6 (3.2)

Fujitsu is pleased to announce the new versions of SCIGRESS - a unique desktop molecular modeling software package that can apply a wide range of computational models to all types of molecular systems, from small organic molecules, to inorganics, polymers, materials systems and whole proteins. SCIGRESS speeds time-to-discovery by providing powerful computing and analytical tools designed for experimental scientists.

For release notes, click here

2015-04-01: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 111 700 entries:

  • P450: over 68 500 entries
  • Transporters: over 29 700 entries
  • Other enzymes: over 13 400 entries

2014-07-21: SCIGRESS 2.6 (3.1.7)

Fujitsu is pleased to announce the new versions of SCIGRESS - a unique desktop molecular modeling software package that can apply a wide range of computational models to all types of molecular systems, from small organic molecules, to inorganics, polymers, materials systems and whole proteins. SCIGRESS speeds time-to-discovery by providing powerful computing and analytical tools designed for experimental scientists.

For release notes, click here

2013-10-01: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 99 100 entries:

  • P450: over 63 500 entries
  • Transporters: over 23 700 entries
  • Other enzymes: over 11 900 entries

FQS Poland representatives will join the sixth conference in the cycle “Current Trends in Theoretical Chemistry”. CTTC VI will cover various aspects of theoretical chemistry from basic theory and methodological developments to applications. The following topics will be addressed at the conference: Electron Correlation, Density Functional Theory (DFT), Time-dependent DFT, Low order scaling SCF methods, Molecular response properties, Molecular dynamics, Modeling catalytic processes, Modeling biological systems.

For more details about the workshop please click here.

2013-07-15: SCIGRESS 2.5 (3.1.4)

Fujitsu is pleased to announce the new versions of SCIGRESS - a unique desktop molecular modeling software package that can apply a wide range of computational models to all types of molecular systems, from small organic molecules, to inorganics, polymers, materials systems and whole proteins. SCIGRESS speeds time-to-discovery by providing powerful computing and analytical tools designed for experimental scientists.

For release notes, click here

2013-06-25: Meet us at the Fourth Nanotechnology Workshop, PoWieFoNa'2013, 25-28 June 2013, Gdansk

PoWieFoNa is an open, regional initiative aimed at extending and enhancing cooperation and contacts among scientific, industrial and business circles interested in nanotechnology in a broad sense and its applications.FQS Poland representatives will join the Fourth Nanotechnology Workshop.

For more details about the workshop please click here.

2013-04-01: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 96 100 entries:

  • P450: over 62 500 entries
  • Transporters: over 22 000 entries
  • Other enzymes: over 11 700 entries

2012-04-02: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 90 400 entries:

  • P450: over 58 500 entries
  • Transporters: over 21 000 entries
  • Other enzymes: over 10 700 entries

2012-01-04: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 88 000 entries:

  • P450: over 56 500 entries
  • Transporters: over 21 000 entries
  • Other enzymes: over 10 500 entries

2011-12-14: SCIGRESS Group Meeting

The Institute of Organic Chemistry I of Ulm University and Fujitsu cordially invite for a one-day SCIGRESS Group Meeting.

The workshop will take place Wednesday, December 14, 2011 at the University of Ulm, Ulm, Germany. The participation is free of charge, however due to the limited number of seats available, advanced registration is required. To register for the workshop, please send a confirmation e-mail to: ccs@fqs.pl or use the registration form.

We are looking forward to fruitful presentation, discussion and hands-on session which will give you the opportunity to broaden your knowledge related to Computational Chemistry and Life Science software solutions of Fujitsu.


2011-11-28: ADMEWORKS ModelBuilder 7.6

FQS Poland and FJQS are pleased to announce the new versions of ADMEWORKS ModelBuilder.

For release notes, click here

2011-11-23: SCIGRESS 2.4

Fujitsu is pleased to announce the new versions of SCIGRESS - a unique desktop molecular modeling software package that can apply a wide range of computational models to all types of molecular systems, from small organic molecules, to inorganics, polymers, materials systems and whole proteins. SCIGRESS speeds time-to-discovery by providing powerful computing and analytical tools designed for experimental scientists.

For release notes, click here

2011-11-21: LiqCryst 5.1

FQS Poland and LCI are pleased to announce the new versions of LiqCryst - 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 110,000 compounds have been collected from about 125,000 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.

For more information please click here.

2011-10-20: Prediction of Drug-Drug Interactions by Computer Simulations - free seminar on ISSX 17th North American Regional Meeting in Atlanta

Following the ISSX 17th North American Regional Meeting in Atlanta, Fujitsu Kyushu Systems Limited is holding a seminar featuring the latest technology in predicting drug-drug interactions through the use of quantitative simulations. Participants will have the opportunity to learn how DDI Simulator would help them assess drug-drug interaction issues more efficiently. DDI Simulator is a software developed under the supervision of Prof. Yuichi Sugiyama of Tokyo University.

The seminar will address the following issues related to predicting drug-drug interactions:

  • Quantitative predictions of DDI through the use of physiologically-based models for both Competitive and Mechanism-based inhibitions.

  • Database of in vivo Ki values of well known inhibitors.

  • Prediction of DDI considering the inhibition of multiple CYP isoforms.

  • Prediction of DDI considering the inhibition of intestinal metabolism.

  • Optimization of the dosing regimen to minimize risk.

For more details about the seminar please click here.

2011-09-20: Special offer for CAChe/Scigres Explorer and Materials Explorer users

In answer to numerous requests from CAChe/ScigressExporer and Materials Explorer users, we decided to prepare a special promotion. We are offering an upgrade all old versions to the new SCIGRESS that is a successor of Scigress Explorer (CAChe) and Materials Explorer and integrates both programs into one powerful suite. Since the software has been designed as a modular product we can still divide the functionality into molecular modeling and dynamics.

Please also note that since March 31, 2012 we will stop supporting all versions of CAChe, Scigress Explorer and Materials Explorer. The only product distributed and supported will be SCIGRESS.

If you would be interested in upgrading your license to SCIGRESS 2.9 please contact us at ccs@fqs.pl.

2011-07-16: ADMEWORKS Predictor 6.0

FQS Poland and FJQS are pleased to announce the new versions of ADMEWORKS Predictor. For release notes, click here

2011-07-15: ADMEWORKS ModelBuilder 6.0

FQS Poland and FJQS are pleased to announce the new versions of ADMEWORKS ModelBuilder. For release notes, click here

2011-06-01: New update of ADMEDB

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: over 84 000 entries:

  • P450: over 54 000 entries
  • Transporters: over 20 500 entries
  • Other enzymes: over 9 500 entries

2010.12.3: Special end of the year offer for Molecular Modelling Software - SCIGRESS

FQS Poland (Fujitsu Group) is glad to announce a special, end of the year offer for molecular modelling software SCIGRESS 2.2. All academic and commercial institutions are entitled to a special discounted pricing for new SCIGRESS licenses till 31.01.2011.

SCIGRESS has been designed as a modular product allowing each user to choose only the components needed. SCIGRESS allows the user to apply a wide range of computational models, from molecular mechanics through rigorous quantum electronic structure techniques, to all types of molecular systems, from organic molecules, to inorganics, polymers, materials systems (metals, oxides, ceramics, semiconductors), and whole proteins. The computational power may be extended by optional multi-core Linux compute engines. SCIGRESS is a successor of Scigress Explorer (CAChe) and Materials Explorer and integrates both programs into one powerful suite. SCIGRESS also offers interfaces to third party products allowing the user to combine all advantages under one comfortable graphical interface.

For more information regarding the software and the special pricing please contact the Computational Chemistry Software Team at ccs@fqs.pl.

2010.12.2: Meet us at the 3rd Workshop on ab initio phonon calculations, Cracow

FQS Poland representatives will join the 3rd Workshop on ab initio phonon calculations in Cracow. The workshop is organized by the Institute of Nuclear Physics of the Polish Academy of Sciences in cooperation with the Institute of Technology of the Pedagogical University of Cracow. The event will take place at the Lecture Hall of W.Danka, Pedagogical University,ul.Podchorążych 2, Cracow (2-4 December 2010). We hope to the meet you there!

For more information please click here.

2010.09.29: ADF2010 Released

SCM and FQS Poland are pleased to announce the release of the 2010 version of ADF, BAND, and COSMO-RS.

This release extends the functionality of ADF and BAND with the enhancement of SCF and geometry optimization routines as well as the ability to compute more spectroscopic properties. The shared memory option for ADF enables larger calculations, and the direct fit option for BAND allows for calculations to complete more quickly. The COSMO-RS code has been enhanced with a library of over 1800 common fluids for which thermodynamic properties can be rapidly computed. General usability has been improved with our graphical user interfaces, particularly the ability to import and export structures.

For the details please click:here

2010.08.20: NEW Cell Illustrator version 5.0 released

FQS Poland is happy to inform you about the new release of Cell Illustrator On-line, version 5.0.

The new Cell Illustrator 5.0 offers new functionality and new features for all researches who wish model, elucidate and simulate complex biological processes and systems. New features include: New User Interface; Simulation Engine Enhancements; Unified Gene Net and Bio-pathway; Updates in Element Lists, Graph Layout, CSMLDB Search; CSMLPipeline; Curated Executable Macrophage Database; Data Assimilation.

For the details please click:here

2010.07.11: 23rd International Liquid Crystal Conference

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.

For more information please click here.

2010-07/08: Fujitsu software applications in toxicology and pharmacology

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

  • Quick estimation of the software's applicability for specific research
  • Possibilities of in silico implementation in the research process to improve efficiency
  • When and how use the software?
  • Capabilities of QSAR analysis
  • Simulation of transdermal and topical drug delivery

For more information please click here.

2010-06-15: LiqCryst 4.8

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.


For more information please click here.

2010-06-10: FQS Poland at the US-Poland Workshop & Summer School: Nanoscale Phenomena in Materials and at Interfaces; Cracow, Poland

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.


For more information please click here.

2010-05-26: FQS Poland at the Jagiellonian University's Master Thesis Contest

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.


For more information please click here.

2010-05-12: FQS Poland at the VII Drug Science Multidisciplinary Conference in Zakopane

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.


For more information please click here.

2010-05-04: SCIGRESS 2.1

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

2010-04-08: FQS Poland joined to LifeScience Cluster Krakow

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

2010-04-01: New update of ADMEDB

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

  • P450: 48 563 entries
  • Transporters: 20 461 entries
  • Other enzymes: 8 936 entries

2010-03-01: SCIGRESS 2.0

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

2009-09-30: ADF 2009

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.

2009-09-18: Meet us on the Second International Environmental Best Practices Conference and AGFES Educational Workshop; Cracow, Poland

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

For more information please click here.

2009-08-01: Cell Illustrator 4.0 Online

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.

For more information please click here.

2009-06-19: "Molecular Dynamics with Materials Explorer" training at the Gdansk University

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.

2009-06-03: FQS Poland sponsors the Jagiellonian University's Master Thesis Contest

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.

2009-04-01: New update of ADMEDB

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

  • P450: 36 503 entries
  • Transporters: 17 761 entries
  • Other enzymes: 7 595 entries