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
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
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: firstname.lastname@example.org 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.
FQS Poland and FJQS are pleased to announce the new versions of ADMEWORKS ModelBuilder.
For release notes, click here
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
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.
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.
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 email@example.com.
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
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 firstname.lastname@example.org.
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!
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
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
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.
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
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.
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.
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.
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.
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:
- P450: 48 563 entries
- Transporters: 20 461 entries
- Other enzymes: 8 936 entries
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”.
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.
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.
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