ChEMBL Resources

The SARfaris: GPCR, Kinase, ADME

Monday, 21 April 2014

Meeting: 20th European Symposium on Quantitative Structure-Activity Relationships (EuroQSAR-2014), St. Petersburg

EuroQSAR-2014 will be held in St.-Petersburg, Russia on August 31st - September 4th, 2014. The deadline for oral talks' abstracts submission to the EuroQSAR-2014 is April 23rd, 2014. The meeting, entitled Understanding Chemical-Biological Interactions, will include 9 plenary lectures and 28 oral communications, which will be selected from the submitted abstracts and will focus on:
  • Chemical-Biological Space: Representation, Visualisation and Navigation.
  • Chemo- and Bioinformatics Approaches to Multi-Target (Q)SAR.
  • Modeling of Protein-Ligand Interactions: Structure, Function and Dynamics.
  • Assessing Ligand Binding Kinetics.
  • Computational Toxicology in Drug and Chemical Safety Assessment.
  • Translational Bioinformatics: From Genomes to Drugs.
  • Emerging QSAR and Modeling Methods.
Two seminars/roundtables are also planned on the last day of the Symposium:
  • (Q)SAR-Related European Initiatives.
  • Employing Proper Statistical Approaches for QSAR Modeling and Best Publishing Practices.
Confirmed speakers include:
  • Opening Lecture - SAR, the Lifelong Learning for my Career Prof. Toshio FUJITA (KYOTO UNIVERSITY, Kyoto, Japan)
  • From QSAR to MQSPR and Beyond: Predictive Materials Informatics Using a Blend of Heuristic and Physics-Based Methods
  • Integrating Pharmacometrics into Drug Development Dr Roberta BURSI (GRÜNENTHAL, Aachen, Germany)
  • Lead Discovery and Optimisation by Use of Interaction Kinetic Analysis Prof. Helena DANIELSON (UPPSALA UNIVERSITY, Uppsala, Sweden)
  • Navigation in Chemical Space Towards Biological Activity Dr Peter ERTL (NOVARTIS INSTITUTE FOR BIOMEDICAL RESEARCH, Basel,
  • Switzerland)
  • Computational Toxicology – An Essential Part of Drug Safety Dr Catrin HASSELGREN (ASTRAZENECA, Mölndal, Sweden)
  • Ensemble-Based Drug Design, Combining Protein Structures and Simulations Dr Will PITT (UCB PHARMA, Slough, United Kingdom)
  • The Metabolic Code
  • Prof. Brian SHOICHET (UNIVERSITY OF TORONTO, Toronto, Canada)
  • Closing Lecture - Opportunities and Challenges in Therapeutics Discovery and Development Dr John C. REED (F. HOFFMAN-LA-ROCHE, Basel, Switzerland)
Hansch Session

  • On the Nature of Non-Classical Hydrogen Bonds and Aromatic Interactions Prof. Anna LINUSSON (UMEA UNIVERSITY, Umea, Sweden)
  • Lessons Learned from the Invention of QSAR Can Inspire Other Breakthrough Discoveries Dr Yvonne C. MARTIN (MARTIN CONSULTING, Waukegan, United States)
  • The Road Ahead: New Challenges for Computational Forecasts Prof. Tudor I. OPREA (UNIVERSITY OF NEW MEXICO, Albuquerque, United States)
  • Molecular Design of Bivalent and Dual Action Drugs Prof. Nikolay S. ZEFIROV (MOSCOW STATE UNIVERSITY, Moscow, Russia)
Proceedings of the Symposium will be published in a special issue of the journal Molecular Informatics.

More information you may find at the Symposium’s web-site:

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