BIGCHEM second Autumn School: Computer-Aided Drug Discovery

Modena, 25-27 October 2017

Every half a year, one of the partners of the Marie Curie BIGCHEM consortium organizes a school about Computational Chemistry and
Pharmacology. The third BIGCHEM School will take place at the University of Modena and Reggio Emilia, Italy, from 25th to 27th October 2017.

The morning lectures will be open to the public and will focus on Computer-Aided Drug Discovery. The attendance to these talks is completely free, we only would require you to register by sending an email to with the following information:

  • Name
  • Family name
  • Company / University

Deadline for registration: October 10th

In the afternoon there will be training activities for BIGCHEM PhD fellows, which, in principle, are not open.



Talks abstracts, click here to download


Wednesday October 25th

  • 9:00 Alexandre Varnek "Generative Topographic Mapping: an universal tool for chemical data visualization and modelling"

  • 9:45 Martin Vogt "Machine learning concepts in chemoinformatics"

  • 10:30 Coffee break

  • 11:00 Chris de Graaf "From structural protein-ligand interaction maps to medicinal chemical modulators"

  • 11:45 Christof Schwab "Molecular structure representation in chemoinformatics applications"

Thurday October 26th

  • 9:00 Esther Kellenberger "New insights on the conservation of fragment binding mode"

  • 9:45 Andrew Pannifer "The European Lead Factory: Collaborative Drug Discovery and Big Data"

  • 10:30 Coffee break

  • 11:00 Maxim Fedorov "Computational methods for discovery and design of new bioactive molecules: at the interface between molecular theories and machine learning"

  • 11:45 Ivan Kondratov "Compound collections and their role in modern drug discovery"

Friday October 27th

  • 9:00 Oliver Koch "A medicinal chemistry guide to binding site comparison"

  • 9:45 Andrea Cavalli "Thermodynamics and kinetics of drug-target binding through molecular simulations"

  • 10:30 Coffee break

  • 11:00 Corrado Priami "From multi-level data to mechanistic details of biological systems in systems pharmacology"

The School venue is:

Aula Magna
Complex "San Geminiano"
Dipartimento di Giurisprudenza
Via S.Geminiano 3
41121 Modena