24th EuroQSAR

24th European Symposium on Quantitative Structure-Activity Relationship

Synergizing AI and Multiscale Modeling for Drug Discovery

 Barcelona, Spain    September 22-26, 2024

Award Lectures

Fujita Award Lecture 2024
Intelligence Aplification is much better than Artificial Intelligence (AL01)

Prof. Gabriele CRUCIANI
Prof. Gabriele CRUCIANI
UNIVERSITY OF PERUGIA, Perugia, Italy
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Hansch Award Lecture 2024
Combining MD Simulations and Machine Learning for the Study of Biomolecular Systems (AL02)

Prof. Sereina RINIKER
Prof. Sereina RINIKER
ETH ZÜRICH, Zurich, Switzerland
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Hansch Award Lecture 2024 (AL03)

Prof. Philippe SCHWALLER
Prof. Philippe SCHWALLER
ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPLF), Lausanne, Switzerland

Plenary Lectures

Title to be announced (PL10)

Prof. Pia ABEL-ZUR WIESCH
Prof. Pia ABEL-ZUR WIESCH
UNIVERSITY SIEGEN, Siegen, Germany

Targeting the Active Site of Splicing Machines (PL11)

Dr Marco DE VIVO
Dr Marco DE VIVO
ITALIAN INSTITUTE OF TECHNOLOGY, Genova, Italy
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Applying ML/AI to drug design (PL02)

Dr Ola ENGKVIST
Dr Ola ENGKVIST
ASTRAZENECA, Mölndal, Sweden
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Modelling a (New) Modality: Computational Tools for Peptide Design (PL05)

Dr Thomas FOX
Dr Thomas FOX
BOEHRINGER INGELHEIM PHARMA GMBH & CO KG, Biberach, Germany

Computational Embryology and Predictive Toxicology (PL09)

Dr Thomas B. KNUDSEN
Dr Thomas B. KNUDSEN
US EPA, Madison, WI, United States
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De Novo Protein Design: Expanding Sequence & Structure Space, Engineering Dynamics, and Building Synthetic Cellular Signaling (PL03)

Prof. Tanja KORTEMME
Prof. Tanja KORTEMME
UNIVERSITY OF CALIFORNIA SAN FRANCISCO, San Francisco, United States
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Title to be announced (PL06)

Prof. Faisal MAHMOOD
Prof. Faisal MAHMOOD
HARVARD UNIVERSITY, Boston, MA, United States

Enzyme Mechanism and Dynamics in Drug Resistance, Evolution and Catalyst Design (PL07)

Prof. Adrian J MULHOLLAND
Prof. Adrian J MULHOLLAND
UNIVERSITY OF BRISTOL, Bristol, United Kingdom
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The Taste of Molecules - Advances and Surprises from Modeling and Experiment (PL01)

Prof. Masha NIV
Prof. Masha NIV
THE HEBREW UNIVERSITY, Rehovot, Israel
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Title to be announced (PL12)

Dr John OVERINGTON
Dr John OVERINGTON
EXSCIENTIA, Oxford , United Kingdom

Chemical Space from First Principles (PL04)

Prof. Jean-Louis REYMOND
Prof. Jean-Louis REYMOND
UNIVERSITY OF BERN, Bern, Switzerland
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The CACHE Computational Hit Finding Initiative: Latest Results and Learnings (PL08)

Dr Matthieu SCHAPIRA
Dr Matthieu SCHAPIRA
UNIVERSITY OF TORONTO, Toronto, Canada
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Session Lectures

Chemistry42: Combining Generative Chemistry and Next-Generation Binding Free Energy Engine for Lead Identification and Optimization (SL14)

Dr Alex ALIPER
Dr Alex ALIPER
INSILICO MEDICINE, Abu Dhabi, United Arab Emirates
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A Protein Structure Transformer for Structural Biology and Molecular Engineering

Prof. Matteo DAL PERARO
Prof. Matteo DAL PERARO
ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE, Lausanne, Switzerland

Title to be announced (SL09)

Dr Gianni DE FABRITIIS
Dr Gianni DE FABRITIIS
ACELLERA, Barcelona , Spain

Structure-based Exploration of the Chemical Space Supported by Machine Learning (SL06)

Prof. Francesco GENTILE
Prof. Francesco GENTILE
UNIVERSITY OF OTTAWA, Ottawa, Canada
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Active Learning Processes in Biomolecular Modelling (SL03)

Prof. Victor GUALLAR
Prof. Victor GUALLAR
BARCELONA SUPERCOMPUTING CENTER, Barcelona, Spain
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Understanding Molecular Recognition and Protein-Ligand Binding (SL13)

Prof. William L. JORGENSEN
Prof. William L. JORGENSEN
YALE UNIVERSITY, New Haven, United States

Title to be announced (SL04)

Dr Yvonne C. MARTIN
Dr Yvonne C. MARTIN
ABBVIE, North Chicago, IL, United States

Translating Safety: Data Pipelines from Substance IDs to Toxicological Risk-Assessments with QSARs in the middle (SL11)

Dr Daniel MUCS
Dr Daniel MUCS
JAPAN TOBACCO INTENATIONAL, Geneva, Switzerland
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From LogP to Early Human Dose Projections (SL05)

Dr Ingo MÜGGE
Dr Ingo MÜGGE
ALKERMES, Waltham, MA, United States
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Title to be announced (SL01)

Dr Woody SHERMAN
Dr Woody SHERMAN
PSIVANT THERAPEUTICS, Boston, MA, United States