23rd EuroQSAR

23rd European Symposium on Quantitative Structure-Activity Relationship

Integrative Data-Intensive Approaches to Drug Design

 Barcelona, Spain    September 20-24, 2020

Programme


15:00

Registration

17:00

Opening Ceremony

17:15

Opening Lecture - Deep Learning Approaches to Structural Bioinformatics

Prof. Russ B. ALTMAN
STANFORD UNIVERSITY, Stanford, United States

18:00

Welcome Drink

08:00

Registration

Session 1 - QSAR Without Borders

09:00

Session Chair

Prof. Alexander TROPSHA
UNIVERSITY OF NORTH CAROLINA, Chapel Hill, United States

09:05

PL01

09:45

SL01

10:15

SL02

10:45

Coffee break

Session 2 - Network Medicine

11:15

Session Chair

Dr Patrick ALOY
INSTITUTE FOR RESEARCH IN BIOMEDICINE (IRB), Barcelona , Spain

11:20

Systems Pharmacology Merging Omics Data and Biological Knowledge (PL02)

Prof. Julio SAEZ-RODRIGUEZ
HEIDELBERG UNIVERSITY, Heidelberg, Germany

12:00

SL03

12:30

SL04

13:00

Lunch, Exhibition & Poster Session

13:15

Workshops

Session 3 - Molecular Dynamics and Kinetics

14:30

Session Chair

Prof. Andrea CAVALLI
UNIVERSITY OF BOLOGNA AND IIT, Bologna, Italy

14:35

Title to be announced (PL03)

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

15:15

SL05

15:45

OC01

16:05

Coffee Break

Session 4 - In Memoriam - Peter Goodford

16:30

Session Chair

Prof. Rebecca WADE
HITS, Heidelberg, Germany

16:35

Structure-Activity Relationships from Drug-Receptor Complexes Using the Comparative Binding Energy (Combine) Method (SL06)

Prof. Federico GAGO
UNIVERSITY OF ALCALA, Alcala de Henares, Spain

17:05

Title to be announced (SL07)

Prof. Gabriele CRUCIANI
UNIVERSITY OF PERUGIA, Perugia, Italy

17:35

Poster Session

Session 5 - Chemical Space Annotation and Expansion

09:00

Session Chair

Prof. Andrew R. LEACH
EMBL-EBI, Hinxton, United Kingdom

09:05

The ChEMBL Database: Past, Present and Future (PL04)

Dr Anna GAULTON
EMBL-EUROPEAN BIOINFORMATICS INSTITUTE, Hinxton, United Kingdom

09:45

SL08

10:15

SL09

10:45

Coffee break

Session 6 - Modelling Drug Safety

11:15

Session Chair

Prof. Manuel PASTOR
UNIVERSITY POMPEU FABRA , Barcelona, Spain

11:20

Enhancing Confidence in Computational Methods for the Evaluation of Drug Safety (PL05)

Dr Alessandra RONCAGLIONI
MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH, Milano, Italy

12:00

SL10

12:30

SL11

13:00

Lunch, Exhibition & Poster Session

13:15

Workshop

Session 7 - Challenges in GPCR Drug Design

14:30

Session Chair

Prof. Harel WEINSTEIN
CORNELL UNIVERSITY, New York, United States

14:35

Thermodynamics and Kinetics Properties of G Protein-Coupled Receptors from Combinations of Machine Learning and Enhanced Molecular Dynamics Methods (PL06)

Prof. Marta FILIZOLA
ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI, New York, United States

15:15

Title to be announced (SL12)

Dr Jesús GIRALDO
AUTONOMOUS UNIVERSITY OF BARCELONA, Bellaterra, Spain

15:45

OC02

Session 8 - Modelling Drug Transport Mechanisms

16:30

Session Chair

Prof. Gerhard ECKER
UNIVERSITY OF VIENNA, Vienna, Austria

16:35

Title to be announced (PL07)

Prof. Gerhard ECKER
UNIVERSITY OF VIENNA, Vienna, Austria

17:15

SL13

17:45

OC03

18:05

Poster Session

Session 9 - Predicting Off-Target Pharmacology

09:00

Session Chair

Prof. Vladimir POROIKOV
INSTITUTE OF BIOMEDICAL CHEMISTRY, Moscow, Russia

09:05

Title to be announced (PL08)

PD Dr Oliver KOCH
UNIVERSITY OF MÜNSTER, Münster, Germany

09:45

SL14

10:15

SL15

10:45

Coffee break

Session 10 - Artificial Intelligence in Drug Discovery

11:15

Session Chair

Prof. Tudor I. OPREA
UNIVERSITY OF NEW MEXICO, Albuquerque, United States

11:20

Towards Machine Learning-Driven Drug Development (PL09)

Prof. Olivier ELEMENTO
CORNELL UNIVERSITY, New York, United States

12:00

SL16

12:30

SL17

13:00

Lunch, Exhibition & Poster Session

13:15

Workshop

Session 11 - New Modes of Target Interaction

14:30

Session Chair

Prof. Leonardo PARDO
AUTONOMOUS UNIVERSITY OF BARCELONA, Bellaterra, Spain

14:35

Title to be announced (PL10)

Dr Gary TRESADERN
JANSSEN, Beerse, Belgium

15:15

SL18

15:45

OC04

16:05

Coffee break

Session 12 - New Trends in Quantum Mechanics

16:30

Session Chair

Prof. Carme ROVIRA
UNIVERSITY OF BARCELONA, Barcelona, Spain

16:35

Title to be announced (PL11)

Prof. Maria Joao RAMOS
UNIVERSITY OF PORTO, Porto, Portugal

17:15

SL19

17:45

OC05

20:00

Conference Banquet

Session 13 - The Challenges Ahead

09:00

Session Chair

Dr Jordi MESTRES
IMIM HOSPITAL DEL MAR MEDICAL RESEARCH INSTITUTE, Barcelona, Spain

09:05

Can Humans Learn from Machine Learning in Drug Discovery? (PL12)

Prof. Tudor I. OPREA
UNIVERSITY OF NEW MEXICO, Albuquerque, United States

09:45

SL20

10:15

SL21

10:45

Coffee break

Session 14 - Hansch & Fujita Awards

11:15

Session Chair

Prof. Andrea CAVALLI
UNIVERSITY OF BOLOGNA AND IIT, Bologna, Italy
Prof. Tudor I. OPREA
UNIVERSITY OF NEW MEXICO, Albuquerque, United States

11:20

Hansch Award Lecture

12:00

Fujita Award Lecture

12:40

Closing Ceremony

Dr Jordi MESTRES
IMIM HOSPITAL DEL MAR MEDICAL RESEARCH INSTITUTE, Barcelona, Spain