Ligand-protein docking, and computer-aided drug design

12 - 13 October 2026
Bern
Date limite de dépôt des candidatures :
28 September 2026
Date limite d'annulation :
28 September 2026
Ute Roehrig, Antoine Daina, Vincent Zoete
SIB resources
Beginner
Académique : 200 CHF
A but lucratif : 1000 CHF
0.5 Crédits ECTS
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Overview

This workshop aims to present basics on molecular visualization, ligand-protein docking and several computer-aided drug design tools developed at SIB. Numerous case examples are taken from different therapeutic fields.

Participants will use powerful, yet simple and intuitive, professional tools, commonly employed in molecular modelling, drug design and drug-target analysis. Some of these tools are based on original unique technologies and databases developed by the SIB, such as SwissBioisostere. The lectures and workshops will be given by the developers of the methods, also available to answer questions regarding the participants' own research and needs.

Audience

This course is designed for PhD students, postdoctoral and other researchers in the life sciences (biology, chemistry, pharmacy, medicine) from both academia and industry.

Learning objectives

At the end of the tutorial, participants will be able to:

  • use UCSF chimera to display molecules in 3D and analyse protein-ligand complexes
  • submit docking calculations through UCSF Chimera and analyse results at atomic scale
  • use SwissSimilarity to perform ligand-based screening
  • use SwissTargetPrediction to predict the most probable protein targets of bioactive small molecules in the context of secondary effect, drug repurposing or deconvolution of phenotypic screen
  • use SwissADME to estimate ADME, physicochemical, pharmacokinetic, druglikeness and related properties
  • use SwissBioisostere for for selecting molecular replacements in the context of lead optimization or scaffold hopping.
  • use WebMO to investigate electronic properties of small molecules

Prerequisites

Competencies

  • Basic knowledge in biology
  • Very basic knowledge in chemistry.

Technical

  • Laptop with two software installed: UCSF Chimera and a web browser (recent version of Firefox, Chrome or Safari). Please click HERE to install the latest version of UCSF Chimera.

Application

The registration fees for academics are 200 CHF and 1000 CHF for for-profit companies.

While participants are registered on a first come, first served basis, exceptions may be made to ensure diversity and equity, which may increase the time before your registration is confirmed.

Applications will close on 28/09/2026 or as soon as the places will be filled up. Deadline for free-of-charge cancellation is set to 28/09/2026. Cancellation after this date will not be reimbursed.

You will be informed by email of your registration confirmation. Upon reception of the confirmation email, participants will be asked to confirm attendance by paying the fees within 5 days.

Venue and time

This course will take place at the University of Bern.

The course will start at 9:15 on the first day and end around 17:15.

Precise information will be provided to the participants in due time.

Additional information

Coordination: Valeria Di Cola, SIB Training Group

We will recommend 0.5 ECTS credits for this course (given a passed exam at the end of the course).

You are welcome to register to the SIB courses mailing list to be informed of all future courses and workshops, as well as all important deadlines using the form here.

Please note that participation in SIB courses is subject to our general conditions. SIB abides by the ELIXIR Code of Conduct.

Participants of SIB courses are also required to abide by the same code.

For more information, please contact training@sib.swiss.