21st EuroQSAR

 

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Conferences > Archives > EuroQSAR 2016

Confirmed Speakers


Opening Presentation

Prof. Michele PARRINELLO
Prof. Michele PARRINELLO
ETH ZURICH, Lugano, Switzerland
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PL01 - Calculating Ligand-Protein Unbinding Rates

Plenary Lectures

Dr Russ B. ALTMAN
Dr Russ B. ALTMAN
STANFORD UNIVERSITY, Stanford, United States
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PL02 - Informatics Methods for Understanding Drug Binding and Action

Dr Jeffrey BLANEY
Dr Jeffrey BLANEY
GENENTECH, SO. San Francisco, CA, United States
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PL12 - After 40 years of Structure-based Design, What Are We Missing?

Prof. Gabriele CRUCIANI
Prof. Gabriele CRUCIANI
UNIVERSITY OF PERUGIA, Perugia, Italy
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PL07 - Prediction of Toxic Endpoints: Fact or Fantasy?

Prof. Paola GRAMATICA
Prof. Paola GRAMATICA
INSUBRIA UNIVERSITY, Varese, Italy
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PL03 - QSAR and Environmental Toxicology - From Chemical Structure to Environmental Hazard: Exploiting QSAR for Screening, Prioritization and Safer Alternative's Design

Dr Johanna JANSEN
Dr Johanna JANSEN
NOVARTIS, Emeryville, United States
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PL06 - Computer-Aided Drug Discovery Approaches Applied to Hit-Generation

Prof. William L. JORGENSEN
Prof. William L. JORGENSEN
YALE UNIVERSITY, New Haven, United States
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PL10 - Computationally Guided Discovery of Potent Enzyme Inhibitors

Prof. Gerhard KLEBE
Prof. Gerhard KLEBE
PHILIPPS-UNIVERSITY MARBURG, Marburg, Germany
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PL11 - Looking Beyond Affinity: What Thermodynamics and Binding Kinetics Can Tell us About Drug Molecules

Prof. Adrian J MULHOLLAND
Prof. Adrian J MULHOLLAND
UNIVERSITY OF BRISTOL, Bristol, United Kingdom
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PL05 - Biomolecular Simulations to Assay Enzyme Activity, Ligand Binding and Drug Resistance

Prof. Rebecca WADE
Prof. Rebecca WADE
HITS, Heidelberg, Germany
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PL04 - Exploring Protein Dynamics for Ligand Design

Keynote Lectures

Prof. Ruben ABAGYAN
Prof. Ruben ABAGYAN
UNIVERSITY OF CALIFORNIA, La Jolla, United States
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KL05 - Finding Drug Targets in 3D

Dr Ernst AHLBERG
Dr Ernst AHLBERG
ASTRAZENECA, Gothenburg, Sweden
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KL09 - How Confident are you in your Predictions? Applications of Conformal Prediction and Teaching Schedules in Drug Discovery

Prof. Rommie AMARO
Prof. Rommie AMARO
UNIVERSITY OF CALIFORNIA, San Diego, United States

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KL01 - Multi-Scale Structure-Based Drug Discovery

Dr Fabio BROCCATELLI
Dr Fabio BROCCATELLI
GENENTECH INC., San Francisco, United States
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KL06 - In Silico ADME-PK in Modern Industrial Drug Discovery

Dr Zoe COURNIA
Dr Zoe COURNIA
BIOMEDICAL RESEARCH FOUNDATION ACADEMY OF ATHENS, Athens, Greece
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KL03 - Mechanistic and Inhibition Studies of the ARP2/3 Complex Using Computational Techniques

Dr Pierre DUCROT
Dr Pierre DUCROT
INSTITUT DE RECHERCHES SERVIER, Croissy-sur-Seine, France
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KL08 - Predicting Protein-ligand Binding and Ligand Residence Time Using Smoothed Molecular Dynamics

Dr Catrin HASSELGREN
Dr Catrin HASSELGREN
LEADSCOPE, Columbus, United States
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KL02 - A Method for Incorporating Proprietary SAR Information to Improve (Q)SAR Models without Disclosing Underlying Compounds

Dr Gerhard HESSLER
Dr Gerhard HESSLER
SANOFI-AVENTIS DEUTSCHLAND, Frankfurt am Main, Germany
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KL07 - Polypharmacology at Work – Examples from Pharmaceutical Industry

Prof. Masha NIV
Prof. Masha NIV
THE HEBREW UNIVERSITY, Rehovot, Israel
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KL04 - The Bitter Taste of Molecules: Characterization, Prediction and Connection to Genetic Variants of Human Taste Receptors

Oral Communications

Dr Martina AUDAGNOTTO
Dr Martina AUDAGNOTTO
EPF LAUSANNE, Lausanne, Switzerland
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OC12 - New Insight into the Catalytic and Inhibition Mechanism of the Human Acyl Protein Thioesterase

Prof. Ruth BRENK
Prof. Ruth BRENK
UNIVERSITY OF BERGEN, Brenk, Norway
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OC13 - Structure-Based Design of Riboswitch Ligands

Dr Daniel CAPPEL
Dr Daniel CAPPEL
SCHRÖDINGER, Mannheim, Germany
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OC08 - Rigorous Free Energy Calculations Applied to Protein Homology Models

Prof. Artem CHERKASOV
Prof. Artem CHERKASOV
UNIVERSITY OF BC, VANCOUVER PROSTATE CENTRE, Vancouver, Canada
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OC03 - A Cheminformatics Story Behind 141,000,000$ Molecule

Ms Evgenia DUEVA
Ms Evgenia DUEVA
LOMONOSOV MOSCOW STATE UNIVERSITY, Moscow, Russia
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OC23 - Fusion Inhibitors of Tick-Borne Flaviviruses: Identification and Mode of Action Study

Dr Emma EVERTSSON
Dr Emma EVERTSSON
ASTRAZENECA, Mölndal, Sweden
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OC25 - Computational Chemistry Input to the Development of Highly Potent Prevention of Activation (POA) MK2 Inhibitors


Dr Richard HALL
ASTEX THERAPEUTICS, Cambridge, United Kingdom

OC16 - The Astex Fragment Network

Dr Huixiao HONG
Dr Huixiao HONG
US FDA, Jefferson, United States
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OC17 - QSAR Models for Prediction Of Drug-Induced Liver Injury in Human Using Decision Forest Algorithm And a Large Set of FDA-Approved Drugs

Dr Dragos HORVATH
Dr Dragos HORVATH
CNRS , Strasbourg, France
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OC14 - Mappability of Drug-Like Space: Towards a Polypharmacologically Competent Map of Drug-Relevant Compounds

Dr Jordi JUÁREZ-JIMÉNEZ
Dr Jordi JUÁREZ-JIMÉNEZ
UNIVERSITY OF EDINBURGH, Edinburgh, United Kingdom
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OC26 - Combining Accelerated Molecular Dynamics and Makov State Models to Disclose Hidden Protein States: Towards the Development of Selective Cyclophilin Inhibitors

Ms Mira KUUSISTO
Ms Mira KUUSISTO
UNIVERSITY OF JYVÄSKYLÄ, University of Jyväskylä, Finland
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OC19 - Prediction Of Cytochrome P450 Mediated Metabolism Using Molecular Dynamics

Prof. Dr Thierry LANGER
Prof. Dr Thierry LANGER
UNIVERSITY OF VIENNA, Vienna, Austria
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OC18 - Pharmacophores: From a Static Concept to a Dynamic One

Ms Cecilia LINDGREN
Ms Cecilia LINDGREN
UMEÅ UNIVERSITY, Umea, Sweden
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OC27 - Modified Glycopeptides Targeting the Class II MHC DR4 Protein Associated with Rheumatoid Arthritis – Investigation of the Effect on T-Cell Response with MD Simulations


Prof. Jaroslaw POLANSKI
UNIVERSITY OF SILESIA, Katowice, Poland

OC04 - How Much Does a Molecule Cost? Molecular Statistics Explains the Big Data Problem In QSPR

Dr Alfonso POZZAN
Dr Alfonso POZZAN
APTUIT, Verona, Italy
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OC22 - Prediction of Drug Efficiency: Our Experience in CNS Drug Design and Discovery


Dr Walter ROCCHIA
FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA, Genova, Italy

OC07 - Finding a Way Toward Binding: A MD Biasing Potential Leading to the Protein-Ligand Complex


Prof. Giulia ROSSETTI
RWTH UNIVERSITY AND FZJ, Juelich, Germany

OC09 - Antagonist Binding of Human Adenosine Receptor in Nearly Physiological Conditions

Prof. Hanoch SENDEROWITZ
Prof. Hanoch SENDEROWITZ
BAR-ILAN UNIVERSITY, Ramat Gan, Israel
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OC11 - Optimization Algorithms for Chemoinformatics and Material-Informatics

Dr Francesca SPYRAKIS
Dr Francesca SPYRAKIS
UNIVERSITY OF TURIN, Torino, Italy
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OC10 - Integrating Molecular Dynamics and Molecular Interaction Fields: A Way to Enhance Structure-Based Virtual Screening


Dr Vladimir SULIMOV
LOMONOV MOSCOW STATE UNIVERSITY, Moscow, Russia

OC15 - Novel Gridless Program SOL-P for Flexible Ligand Docking with Moveable Protein Atoms

Dr Olga TARASOVA
Dr Olga TARASOVA
IBMC, Moscow, Russia
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OC05 - How To Increase the Concordance of the Experimental Data for QSAR Modeling: Case Study for HIV-1 Reverse Transcriptase Inhibitors


Prof. Roberto TODESCHINI
UNIVERSITY OF MILANO-BICOCCA, Milano, Italy
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OC20 - Mixtures, Metabolites, Ionic Liquids: A New Measure to Evaluate Similarity Between Complex Chemical Systems


Prof. Alexandre VARNEK
UNIVERSITY OF STRASBOURG, Strasbourg, France

OC02 - Chemical Reactions Mining: Big Data Challenge

Prof. Gennady VERKHIVKER
Prof. Gennady VERKHIVKER
CHAPMAN UNIVERSITY AND UNIVERSITY OF CALIFORNIA SAN DIEGO, Orange, United States
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OC21 - Navigating Genetic and Structural Landscapes of Human Protein Kinome in a System-Based Network Modeling of Kinases Binding and Drug Resistance: Leveraging Inhibitor-Induced Dimerization Mechanisms in Design of Targeted Anticancer Agents

Dr Michal VIETH
Dr Michal VIETH
ELI LILLY & CO, Indianapolis, United States
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OC06 - Hybrid Modeling Approach to Investigate Antibody Dynamics

Dr Joerg Kurt WEGNER
Dr Joerg Kurt WEGNER
JOHNSON & JOHNSON, Beerse, Belgium
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OC01 - Biosignature Based Drug Design: Impacts of a New Paradigm from a Pharma Perspective


Dr Johannes ZUEGG
CO-ADD, St. Lucia, Australia

OC24 - Discovery and Prediction of Novel Antimicrobial Using Large Scale Screening Data


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