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Molecular Simulations for Drug Discovery and Design

Biophysics, Computational Biology and Computer Science workshop by Gian Pietro Miscione, Johan Fabian Galindo Cruz, Jorge Alí-Torres and 2 more

Universidad de los Andes and Universidad Nacional de Colombia, Bogotá, Colombia
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About

A five-day research workshop combines molecular simulations and AI-assisted drug discovery with practical hacking sessions and direct mentoring. Training covers enhanced sampling, QM/MM simulation and free-energy calculations, with discussion of current computational research workflows. The meeting brings together forty participants spanning master’s students, doctoral researchers, postdoctoral researchers and faculty, alongside invited experts from Europe, the United States and South America. Activities take place at Universidad de los Andes and Universidad Nacional de Colombia in Bogotá. Pre-registration is first come, first served through 20 October; the local organizer lists a COP 95,000 fee including four lunches and separate travel/accommodation scholarship support.

Topics

  • molecular simulations
  • AI-assisted drug discovery
  • enhanced sampling
  • QM/MM simulation
  • free-energy calculations
  • computational research workflows
  • practical hacking sessions
  • Universidad de los Andes
  • Universidad Nacional de Colombia
  • Bogotá

Organisers

  • Gian Pietro Miscione
  • Johan Fabian Galindo Cruz
  • Jorge Alí-Torres
  • Margot Paulino Zunini
  • Sara Luz Gómez Maya

Guest speakers

  • Giulia Palermo
  • Alessia Ghidini
  • Andrea Cavalli
  • Fabio Polticelli
  • Fernando Posada
  • Jean-Didier Maréchal
  • Néstor Aguirre
  • Pietro Vidossich

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