34th GP2A Conference on Medicinal Chemistry: BioSolveIT Workshop

34th GP₂A Conference on Medicinal Chemistry
Hands-on Workshop - Modeling with SeeSAR

Welcome to the BioSolveIT workshop page!
This year, BioSolveIT is excited to contribute to the 34th GP₂A Conference on Medicinal Chemistry in Gothenburg with an exciting hands-on learning session with the title "Medicinal Chemistry in Motion: Introduction to Rational Compound Design".

You will learn how structure-based drug design supports lead optimization by turning binding-mode insights into actionable ideas for decorating and improving ligand scaffolds.
What makes BioSolveIT workshops special is their interactive, beginner-friendly format: using our drug design dashboard SeeSAR, you can explore binding prediction, fragment-growing strategies, scaffold exploration, and more. No computational chemistry expertise required, though experts will find plenty of depth. Please bring your own laptop and install SeeSAR in advance (instructions below); registered participants will receive a workshop license so you can continue testing the software for several weeks after the session.
When: 27 August 2026, 3:45–4:45 PM

Medicinal Chemistry in Motion: Introduction to Rational Compound Design
Workshop Description

Structure-based drug design has become an integral part of rational drug development. In the lead optimization process, computational insights into potential binding modes are an indispensable tool for the targeted decoration and modification of the ligand scaffold in order to obtain improved candidates.

This BioSolveIT workshop will employ current state-of-the-art methods designed to help medicinal and computational chemists efficiently combine their expertise with software approaches and identify the most promising molecules for follow up. Beginners and experts alike are invited to benefit first-hand from the valuable insights and to independently explore their own design ideas with BioSolveIT's own drug design dashboard SeeSAR.

In a hands-on session, we will focus on binding prediction, fragment-based growing strategies, options for scaffold exploration, and many other relevant current topics.

When: August 27, 3:45-4:45 PM
Who should participate: PhD students, postdocs, medicinal & computational chemists, crystallographers, drug discovery enthusiasts. Everybody is welcome!

Bring your own laptop to participate in the interactive design session!

Please register in advance so we can send you the workshop details and a license to access our SeeSAR platform.

Setup: How to Get Started

Step 1: Download SeeSAR

Access infiniSee

After the download, install SeeSAR on your machine.
Windows, macOS and Linux packages are available.

Step 2: Activate SeeSAR

In order to launch SeeSAR, start the application and load your license file into the software by either navigating to the file from the start screen or by drag-and-dropping the file into the window.

We’ll email the license file to all registered participants in advance, and it will remain valid for several weeks after the workshop so you can explore the software’s full capabilities on your own target.

Need some help to set things up?

Ask our support

Topics of the Workshop

Binding mode prediction of ligands.
Structure-based design of improved candidates.
Fragment-based growing strategies.
Scaffold hopping and water mimicking.
Solvation- and desolvation-aware interpretation of interactions.

Want to Explore the Whole BioSolveIT World?

Your license comes with a lot of power and can also be used to access our other tools!

infiniSee

Dive into the largest compound catalogs with infiniSee and perform ligand-based screenings for closest relatives to a compounds of interest. Several orthogonal search Modes (pharmacophore-based, molecular fingerprints, and substructure-guided) are available to retrieve compounds based on the needs of the project.

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infiniSee xREAL

Take a deeper dive into Enamine's compound cluster with infiniSee xREAL. This exclusive version of infiniSee is able to screen the extended version of the REAL Space, featuring more reactions that expand the molecular hunting grounds.