Prof. Dr. M. M. C. Ferreira - ASIC 2008 contributions

117.
Carvalho-Fresqui M. A., Barbosa E. G., Ferreira M. M. C., "RECEPTOR DEPENDENT 3D-LQTA-QSAR OF A SERIES OF SUBSTITUTED AMPHETAMINES". Rhodes, Greece, 19-24/09/2010: 18th European Symposium on Quantitative Structure-Activity Relationships: Discovery Informatics & Drug Design (18th Euro QSAR 2010), Programme & Abstracts Book (2010) 262. Poster II-31.

118.
Barbosa E. G., Pasqualoto K. F. M., Ferreira M. M. C., "EXPLORING PROTEIN FLEXIBILITY IN 4D-QSAR: APPLICATION TO A SET OF TRYPANOTHIONE REDUCTASE INHIBITORS". Rhodes, Greece, 19-24/09/2010: 18th European Symposium on Quantitative Structure-Activity Relationships: Discovery Informatics & Drug Design (18th Euro QSAR 2010), Programme & Abstracts Book (2010) 319-320. Poster II-82.

Here below ais a simplified version of the conference home page which can be found at: http://www.euroqsar2010.gr/27/article/english/27/18/index.htm

Dear 18th EuroQSAR Attendants

The 18th European Symposium on Quantitative Structure Activity Relationships took place in Rhodes, Greece, on 19-24 September 2010. The Symposium was attended by 320 participants from 44 countries around the world. Among them, 44% were from academia, 34% from Industry, and 22% were students.

On behalf of the Organizing Committee we would like to thank the invited speakers, keynote lecturers, oral presenters and poster presenters as well as all the attendants for your active participation during the sessions and the social events, which created a vibrant and motivating atmosphere. We would also like to express our gratitude to our sponsors who made this event possible through their generous contributions.

During five days we discussed and shared ideas on the latest scientific and technological advances in QSAR as tools for the discovery of new, safer and more efficacious drugs. The impact of informatics , chemo-informatics, bio-informatics, pharmaco-informatics , in achieving this goal, reflected also in the Symposium’s title ‘Discovery Informatics in Drug Design’ was evident throughout the meeting, while the importance of knowledge management was also outlined, creating a bridge to the next EuroQSAR Symposium, which will take place in Vienna in 2012.

The scientific program included an inaugural lecture, 14 plenary lectures, 6 keynote lectures, 36 oral presentations and 225 posters, divided in two poster sessions. Among the posters, four were selected for short oral communication in a special young researchers’ forum, and were awarded prizes, generously provided by Sunset Molecular and Wiley. The winners can be found at the following link. In the meeting of the Cheminformatics and QSAR Society that took place during the Symposium, Dr Ismael Zamora was announced as the recipient of the 2010 Hansch award.

We hope that you enjoyed the conference, strengthened old friendships and collaborations, and made new ones. In the photo gallery you may find some pictures of our shared moments in Rhodes. We would like to remind you that Molecular Informatics is preparing a special issue dedicated to the EuroQSAR 2010. Manuscripts should be submitted through the journal’s website (http://mc.manuscriptcentral.com/minf). The submission deadline is October 31 and all manuscripts will be peer-reviewed, in accordance to the journal’s policy.

It was an honor and a privilege to host this meeting and to witness the exciting progress and tremendous diversity of research carried out by the members of our community. We noted with great joy the growing number of young researchers entering our field and making novel and significant contributions. We now pass the baton to Gerhard Ecker and the University of Vienna, confident in their ability to continue the fine tradition of the EuroQSAR symposium series and reassured about our field's exciting future.

With kindest regards,

Anna Tsantili-Kakoulidou

Dimitris K. Agrafiotis

Organizing Committee

Anna Tsantili-Kakoulidou, Symposium Chair (University of Athens) Dimitris Agrafiotis, Co-Chair (Johnson & Johnson Pharmaceutical Research & Development, USA and University of Athens, Greece) Dimitra Hadjipavlou-Litina (University of Thessaloniki, Greece) Olga Igglessi-Markopoulou (National Technical University of Athens, Greece) Thomas Mavromoustakos (University of Athens, Greece) Emmanuel Mikros (University of Athens, Greece) Tudor Oprea (University of New Mexico, USA) Isidore Rigoutsos (Thomas Jefferson University, USA) Haralambos Sarimveis (National Technical University of Athens, Greece)

Local Supporting Organizing Team

A. Afantitis K. Giaginis V. Gikas C. Koukoulitsa C. Kontogiorgis G. Melagraki E. Pontiki F. Tsopelas

Scientific Committee

D. Agrafiotis	USA, Greece
M. Akamatsu	Japan
E. Aki	Turkey
M. Botta	Italy
A. Carotti	Italy
G. Cruciani	Italy
G. Ecker	Austria
P. Goodford	U. K.
H.- D. Holtje	Germany
G. Klebe	Germany
H. Kubinyi	Germany
T. Langer	Austria
T. Lundstedt,	Sweden
P. Macheras	Greece
R. Mannhold	Germany
Y. Martin	USA
T. Oprea	USA
V. Palyulin	Russia
I. Rigoutsos	USA
F. Sanz	Spain
C. Selassie	USA
N. de Souza	India
B. Testa	Switzerland
H. Timmerman	The Netherlands
A. Tropsha	USA
A. Tsantili- Kakoulidou	Greece
I. Yalcin	Turkey
H. Van de Waterbeemd	France
D. Winkler	Australia

Topics

Pharmacophore Searching and Virtual Screening Structure-Based Drug Design - Druggability Bioinformatics / Cheminformatics Systems Biology and Biological Complexity Multi-target QSAR QSPR for Novel Biomaterials and Regenerative Medicine In Silico PhysChem Profiling and ADMET Predicting Drug Safety Predictive Toxicology and Risk Assessment - Environmental QSAR Computational Strategies in Agricultural and Animal Health Research Novel QSAR Approaches


Invited Speakers

Prof. Hugo Kubinyi "The Long Road from QSAR to Virtual Screening" (Inaugural Lecture) Prof. Soren Brunak "Disease Systems Chemical Biology and Toxicogenomics" Center for Biological Sequence Analysis, Dept Systems Biology, Danish Technical University Prof. Gerhard Ecker "Ligand- and structure-based approaches for targeting drug transporter" University of Vienna, Austria Prof.Paola Gramatica Rodent Toxicity Studies on Perfluorinated Chemical for Reach Department of Structural and Functional Biology Insubria University,Italy Dr. Peter Kenny "Hydrogen bonding and molecular design" Prof. Panos Macheras "Computational-regulatory developments in the prediction of oral drug Absorption" Department of Biopharmaceutics /Pharmakokinetics University of Athens Dr. Eric Martin "Iterative Kinase Medium-Throughput Screening (ikMTS) with 2D Profile-QSAR and 3D Surrogate AutoShim Ensemble Docking" Novartis Institutes for BioMolecular Design (USA) Prof. Jordi Mestres "Ligand based approaches to in silico pharmacology benchmark and application" Municipal Institute of Medical Research - University Pompeu Fabra, Barcelona, Spain Dr. Anthony Nicholls "Information theory and QSAR" OpenEye Scientific Software, Inc Prof. Ferran Sanz "Integrative pharmacoinformatics approaches in the prediction of clinicak outcomes of drugs" Municipal Institute of Medical Research University Pompeu Fabra, Barcelona, Spain Prof. Klaus - Juergen Schleifer "Challenges in agrochemicals design" BASF, Germany Prof. Bernard Testa "The Biochemistry of Drug Metabolism ? Which are the important Reactions and Enzymes?" Prof. Herbert Waldmann "Charting Biologically Relevant Chemical Space" Max-Planck Institute of Molecular Physiology, Germany Dr. Han van de Waterbeemd "Real - time in silico physchem and ADMET support using autoQSAR" Dr. Ruhong Zhou "Ligand-receptor binding affinity predictions with Linear Response Methods and Free Energy Perturbation Calculation" IBM Thomas J. Watson Research Center, U.S.A.

Scientific Programme

To view the Scientific Program of the 18th EuroQSAR Symposium please click here

Symposium Chair:
Anna Tsantili - Kakoulidou
University of Athens
tsantili@pharm.uoa.gr

Co - Chair:
Dimitris Agrafiotis
(Johnson & Johnson Pharmaceutical Research & Development, USA and University of Athens, Greece)
Dagrafio@its.jnj.com

Congress Secretariat:
Mr. Gerasimos Kouloumpis
Zita Congress & Travel
gerasimos.kouloumpis@zita-congress.gr