Chair Ismail YALCIN Ankara University - Turkey
Co-Chairs Anna TSANTILI N.K. Uni. of Athens - Greece Esin AKI-YALCIN Ankara University - Turkey
Symposium Secretariat Sinan SENEM
  • Birlik Mah. 457. Sokak 29/2 Cankaya - Ankara/TURKEY
  • Phone : +90 312 447 84 92
  • Fax : +90 312 447 84 02
  • info@euroqsar2018.org

Post Congress

SCIENTIFIC PROGRAM OF THE EuroQSAR 2018

Session 9 Ligand-Based and Structure-Based Approaches to Drug Design [Lecture Hall]
Session Chair
Gerhard WOLBER (Freie Universitaet Berlin, Berlin, Germany)
09:00 IS15 - EXPLORATION OF MOLECULAR RECOGNITION PROCESSES
Kennie MERZ (Michigan State University, Michigan, USA)
09:30 IS16 - FULL GPCR STRUCTURE-BASED DESIGN UNMASKED BY MULTIPLE LIGAND X-RAY STRUCTURES, WATER NETWORKS AND GRID MOLECULAR INTERACTION FIELD ANALYSES - FROM HIT DISCOVERY TO FEP PREDICTION OF BINDING AFFINITIES
Jonathan MASON (Therapeutics Ltd, Cambridge, United Kingdom)
10:00 OP25 - DESIGN OF CLIQUE-DRIVEN MULTITARGETED PHARMACOPHORES MAPPING THE COMPLEMENTARY SPACE IN ACTIVE SITE OF ENZYMES
Indira GHOSH (Jawaharlal Nehru University, New Delhi, India)
10:20 OP26 - MOLECULAR DYNAMICS OF HIF-2A:ARNT LIGAND-INDUCED INHIBITION
Stefano MOTTA (University of Milano, Milan, Italy)
10:40-11:10 Coffee Break
10:55-11:05 Flash Oral Presentation (FOP Session-7) [Poster Hall]
FOP09 - ARTIFICIAL NEURAL NETWORKS MODEL FOR ASSESSMENT OF OPTIMAL CONDITIONS OF HYDROGENATION REACTIONS
Timur MADZHIDOV (Kazan Federal University, Kazan, Russia)
Session 10 Computational Methods for Nanotechnology in Drug Discovery [Lecture Hall]
Session Chair
Vladimir POROIKOV (Institute of Biomedical Chemistry Moscow, Russia)
11:10 IS17 - TOWARD THE COMPUTATIONAL DESIGN OF NANORECEPTORS WITH INTELLIGENT RECOGNITION ABILITIES
Marco DE VIVO (Italian Institute of Technology, Genova, Italy)
11:40 IS18 - SCOPING COMPUTATIONAL CHEMISTRY SUPPORT OF PHARMACEUTICAL DRUG DEVELOPMENT
Yuriy ABRAMOV (Pfizer Worldwide Research & Development, Groton, USA)
12:10 OP27 - MODELLING AND PREDICTING PH-PERMEABILITY PROFILE FOR DRUG SUBSTANCES
Uko MARAN (University of Tartu, Tartu, Estonia)
12:30 OP28 - QUASI-DOCKING: COMPARISON OF DIFFERENT ENERGY FUNCTIONS IN DOCKING
Vladimir SULIMOV (Lomonosov Moscow State University, Moscow, Russia)
12:50-13:50 Lunch & Poster Session
13:50-14:00 Flash Oral Presentations (FOP Session-8) [Poster Hall]
FOP10 - CONTROLLED RELEASE OF ANTI-INFLAMMATORY DRUGS FROM MESOPOROUS DRUG HOST MIL-101 (CR) EFFECT OF FRAMEWORK FLEXIBILITY IN MOLECULAR DYNAMICS SIMULATIONS
Ozge KURKCUOGLU (Istanbul Technical University, Istanbul, Turkey)
14:00-14:10 FOP11 - BIOACTIVITY AND DIVERSITY LANDSCAPE OF THE EPIGENETIC CHEMICAL SPACE
Jose De Jesus NAVEJA ROMERO (Universidad Nacional Autónoma de Mexico, Coyoacan, Mexico)
14:10-14:45 QCMS Meeting
Session 11 Computational Biology [Lecture Hall]
Session Chair
Dimitris AGRAFIOTIS (Covance/LabCorp, Princeton, New Jersey, USA)
14:45 IS19 - INTEGRATIVE MODELING AT THE PROTEIN-MEMBRANE INTERFACE
Matteo DAL PERARO (Ecole Polytechnique Federale De Lausanne - Lausanne, Switzerland)
15:15 OP29 - PASS (PREDICTION OF ACTIVITY SPECTRA FOR SUBSTANCES): THREE DECADES OF DEVELOPMENT AND APPLICATION IN DRUG DISCOVERY
Vladimir POROIKOV (Institute of Biomedical Chemistry Moscow, Russia)
15:35 OP30 - COMPUTATIONAL IDENTIFICATION OF MUTATIONS CONFERRING DRUG RESISTANCE TO TARGETED CANCER THERAPIES
Teresa KASERER (The Institute of Cancer Research, London, United Kingdom)
15:55 OP31 - THE FUTURE OF COMPUTATIONAL CHEMOGENOMICS
Edgar JACOBY (Janssen Research & Development, Beerse, Belgium)
16:15 OP32 - FROM STRUCTURAL BIOLOGY TO MEDICINAL CHEMISTRY. PURINE TRANSPORTERS AS DRUGABLE TARGETS
George LAMBRINIDIS (National and Kapodistrian University of Athens, Athens, Greece)
16:35-17:05 Coffee Break
16:50-17:00 Flash Oral Presentation (FOP Session-9) [Poster Hall]
FOP12 - QSAR BASED INTEGRATED ANALYSIS FOR OPTIMIZATION OF PK PROPERTIES OF SMALL MOLECULES IN DRUG DISCOVERY
Riccardo GUARESCHI (Forschungszentrum Juelich, Juelich, Germany)
Session 12 Computational Toxicology for Safer Drugs [Lecture Hall]
Session Chair
Serdar DURDAGI (Bahcesehir University, Istanbul, Turkey))
17:05 IS20 - INTERNATIONAL COMPUTATIONAL COLLABORATIONS TO SOLVE TOXICOLOGY PROBLEMS
Kamel MANSOURI (Integrated Laboratory Systems, Inc., Morrisville, USA)
17:35 OP33 - ELUCIDATION OF PROTEIN-PROTEIN INTERACTIONS AND COMPUTER-AIDED DRUG DESIGN (CADD) FOR RATIONAL DRUG DISCOVERY
Sun CHOI (Ewha Womans University, Seoul, South Korea)
17:55 OP34 - DEEP MACHINE LEARNING IN PRECLINICAL SAFETY AND TOXICITY PREDICTION
Jan WENZEL (Sanofi-Aventis Deutschland Gmbh, Frankfurt, Germany)
18:15 OP35 - QGEXAR: THE IMPLEMENTATION OF QSAR METHODOLOGY WITH GENE EXPRESSION DATA FOR THE PREDICTION OF BIOLOGICAL ENDPOINTS: AN EXAMPLE WITH DILI
Olivier TABOUREAU (University of Paris, Paris, France)
18:35 OP36 - RECOMMENDER SYSTEMS FOR PREDICTING THE ANTIVIRAL ACTIVITY BASED ON VIRALCHEMBL DATA
Ekaterina SOSNINA (Skolkovo Institute of Science and Technology, Moscow, Russia)
20:00 Banquet

IS: Invited Speach

OP: Oral Presentation

FOP: Flash Oral Presentation

QCMS Meeting: QSAR, Cheminformatics and Modeling Society Meeting

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