News

Drug metabolizing enzymes and drug transporters database ADME DB was just updated. Database now includes: 61 859 entries (human and non-human P450: 36 503 entries, transporters: 17 761 entries, and other enzymes: 7 595 entries).

Fujitsu is pleased to announce the release of new program: SCIGRESS. SCIGRESS is 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. SCIGRESS integrates Scigress Explorer and Materials Explorer into one powerful suite. For release notes, click here.

MipTec (http://www.miptec.com/2008/) is the premier European conference and exhibition encompassing innovative approaches to high quality science and technology for efficient drug discovery. The mission of MipTec is to bring together scientists from all disciplines involved in drug discovery within pharmaceutical and biotech companies, academic labs and technology providers in an atmosphere where ideas and experiences are shared and discussed.

This meeting will provide ISSX members and other scientists the opportunity to come together to learn about the latest scientific achievements from experts in the field of xenobiotics. There will be ample opportunities for participants to meet with other scientists and to network with friends and colleagues.

Sympozjum Technologie informacyjne dla chemikow ma stac sie miejscem wymiany opinii pomiedzy uzytkownikami zaawansowanych technologii informacyjnych. Technologie, ktore sa tematem Sympozjum (same nie nalezac do sfery wiedzy chemicznej) coraz silniej wplywaja na przebieg pracy chemika naukowca i dydaktyka. Zmiany dokonuja sie w trzech glownych obszarach: edukacji, wyposazeniu warsztatu naukowego oraz organizacji wspolnych przedsiewziec naukowych. W wielu przypadkach juz obecnie widac, ze zastosowanie odpowiednich aplikacji spowodowalo znaczace zwiekszenie produktywnosci bez wyraznego wzrostu ponoszonych nakladow. Mozna przypuszczac, ze w ciagu kilku czy kilkunastu lat dojdzie do glebokiej reorganizacji w obszarze nauki oraz edukacji, ktora w czesci bedzie skutkiem powszechnej dostepnosci narzedzi jeszcze niedawno rzadko stosowanych.

These workshops are aimed to provide a set of stimulating workshops using latest advanced modelling techniques of relevance to chemists, life scientists and modellers working in drug discovery. Participants should return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities. Workshop groups will study problems with hands-on examples using leading-edge software and discuss complex issues highlighted by examples and case studies presented by instructors. Software packages and an IT classroom will be used by instructors and participants to work through drug discovery and optimisation problems. Participants may propose problems and issues to the faculty ahead of the workshop. Participants will also have ample opportunity to discuss their perspectives and criticisms of the methods studied and should take-away key nuggets of understanding from these intensive sessions.

Fujitsu is pleased to announce the release of new version of Scigress Explorer. For release notes, click here. Release 7.7.0 is the last version of Scigress Explorer. Scigress Explorer and Materials Explorer will be integrated into new suite: SCIGRESS.

Fujitsu is pleased to announce the release of new version of MO-G (former MOPAC). For release notes, click here

The conference was meant as a tribute to Professor Kazimierz Guminski, and was organized to celebrate the centenary of his birthday and the 25th anniversary of his death. Professor Kazimierz Guminski was the founder and the first head of the Theoretical Chemistry Department at the Jagiellonian University, as well as the main initiator (soon followed by W. Kolos) of theoretical chemistry research and teaching in Poland. The conference covered various aspects of quantum chemistry, starting from recent methodological developments to applications.

We are pleased to announce the new versions of ADMEWORKS ModelBuilder and ADMEWORKS Predictor. For release notes, click here

Modelling and Design of Molecular Materials is a biannual conference devoted to presenting contemporary computational methods along with their applications in molecular modelling and molecular material design and related fields. Planned sessions include: advances in computational methods, designed biomaterials, drug design, interactions in molecular materials, modeling biomaterials, modeling zeolite materials, modeling chemical reactions, nucleic acids, protein dynamics, protein structure prediction, workshop - tools for computational chemistry.

This International Summer School is organized as a fourth event in a series of training activities conducted in association with the FP6 Integrated Project “OLLA” - “High Brightness OLED-s for ICT & Next Generation Lighting Applications” (http://www.olla-project.org). The School is thought as a high-level and highly intensive scientific event focusing on cutting-edge organic and inorganic materials for OLED-s construction, involving physicochemical and theoretical considerations, synthetic aspects, theoretical modeling, industrial requirements, and roadmap for future development. This Summer School aims at the state-of-the-art training in the form of lectures and tutorials addressed to Ph.D. students and young researchers willing to reinforce their knowledge and skills in the field of molecular optoelectronics. Top experts in this area will deliver lectures and tutorials. The school is intended both for people already active in this R&D field as well as for those new to the field.

FQS POland jest jednym z wystawcow na VI Multidyscyplinarnej Konferencji Nauki o Leku, ktora odbedzie sie w dniach 26-28 maja 2008 r w Przemyslu. VI MKNOL jest kolejnym, organizowanym w cyklu dwuletnim, wydarzeniem naukowym, ktore jest integracyjnym forum do prezentacji wynikow badan, wymiany pogladow i wieloplaszczyznowych dyskusji. Czesc wykladowa obejmowac bedzie tematyke z obszarow chemii medycznej, syntezy i technologii organicznej, analityki farmaceutycznej i klinicznej oraz technologii farmaceutycznej.

This meeting provides an extremely valuable and truly unique opportunity for Xenobiotic researchers to gather, exchange ideas and expertise. The outstanding scientific program will focus on understanding Xenobiotics for better drug development and therapy.

New release of Materials Explorer is now available. For release notes, click here. Release 5.0 is the last version of Materials Explorer. Materials Explorer and Scigress Explorer will be integrated into new suite: SCIGRESS.

The EuroLab Fair is the only trade fair event in Poland dedicated to the laboratory industry, which is developed and organized by all-Poland scientific and research centers cooperating in subject matter agenda of the event. It is the place for promoting latest solutions and technologies for laboratories; moreover, the fair constitutes an invaluable source of information and knowledge concerning the state-of-the-art research methods and scientific techniques.

We are pleased to announce the new versions of ADMEWORKS ModelBuilder and ADMEWORKS Predictor. For release notes, click here

The 1st International Conference on Drug Design and Discovery (ICDDD) was held from Feb. 4 -7, 2008 at Dubai, UAE. ICDDD 2008 was the first major international conference and exhibition of the series, which aimed to present cutting edge advances in various disciplines of drug design and discovery. Over 600 leading industrial and academic experts from 58 countries around the globe presented their findings in the form of Plenary Lectures, Invited Lectures, Session Lectures and Posters at this four-day conference. The ICDDD 2008 offered an in-depth assessment of the challenges involved in the dynamic and fast moving field of drug discovery and development bringing together leading chemists, pharmacologists, biotechnologists, and other allied professionals to discuss and present the latest important developments in the field.

FQS Poland organizuje na Uniwersytecie Lodzkim seminarium poswiecone zastosowaniu oprogramowania naukowego w modelowniu molekularnym. W programie seminarium przewidziany jest wyklad dotyczacy podstaw metod obliczeniowych oraz szkolenie z zastosowania programu Scigress Explorer. SE jest jednym z szeroko stosowanych pakietow oprogramowania do chemii komputerowej, zaprojektowanym dla chemikow i farmaceutow prowadzacych badania m. in. z zakresu biochemii, bioinformatyki i chemii lekow, jak rowniez dla studentow i uczniow. Scigress Explorer pozwala kazdemu uzytkownikowi na trojwymiarowa wizualizacje czasteczek, analize konformacyjna, analize reaktywnosci i przewidywanie wlasciwosci zwiazkow przy uzyciu przyjaznego dla badacza interfejsu uzytkownika.

New release of LocalSCF is now available. For release notes, click here

We are pleased to announce the new version of LocalSCF. For release notes, click here

New version of Cell Illustrator is now released. For release notes, click here

New release of Scigress Explorer is now available. For release notes, click here

We are pleased to announce the new versions of ADMEWORKS ModelBuilder and ADMEWORKS Predictor. For release notes, click here

We are pleased to announce the new version of MOPAC 2006. For release notes, click here

Fujitsu is pleased to announce the release of new version of Materials Explorer. For release notes, click here

Fujitsu is pleased to announce the release of new version of Scigress Explorer 7.5 (former CAChe). For release notes, click here

New release of LocalSCF is now available. For release notes, click here

We are pleased to announce the new version of Cell Illustrator. For release notes, click here

New release of CAChe is now available. For release notes, click here

Fujitsu is pleased to announce the release of new version of MOPAC 2002. For release notes, click here