June 2025#

This is the second issue of our new monthly newsletter, designed to keep you up to date on the latest SAMSON developments, new features, collaborations, and upcoming events.

SAMSON 2025 R2 is now vailable#

Discover detailed improvements in the latest update by viewing the Release Notes.

Update directly from SAMSON via Interface > Update SAMSON, or download the latest installer from the SAMSON Connect website.

For developers

Developers, please refer to the v8.0.0 changelog for important updates affecting SAMSON Extensions.

Clipping and protein-ligand interactions in 3D

SAMSON 2025 Webinar Recording Available#

Explore the new features introduced in SAMSON 2025 R1 and R2, including:

Utilizing the new View and Point selection editors.
Inspecting structures with Progressive Clipping.
Designing 2D and 3D protein-ligand interaction diagrams using the updated Interaction Designer.
Efficiently creating complex designs with Pattern Builders.
Aligning multiple protein sequences and structures using the updated Protein Aligner, now integrated by default.
Managing selections with Quick Groups.
Enhancing visualizations using the new color schemes.

Watch the full webinar on YouTube .

SAMSON Extensions Updates#

Enhanced Features#

AutoDock Vina Extended: Now automatically sets receptors and ligands.
OpenMM Wizard: Updated for OpenMM 8.3.0 with new force fields.
Interaction designer: Improved label placement, easy hiding of interactions, and performance optimization.
PDB importer: Now supports different order of atoms within residues in different models for trajectory loading.
Molecular Restrainer: New generalized minimization stopping criteria.
Python Scripting: Updated API corresponding to updates in SAMSON v8.0.0 (see changelog).

Bug Fixes#

Resolved various issues in Adenita, SMILES Manager, and Twister.

Documentation Updates#

New tutorials available:

Protein Preparation & Validation: Techniques for preparing and fixing protein systems prior to docking, simulations, and molecular-design tasks.
Molecular Restrainer: Energy Minimization of NMR-Derived Structures: Guide on rapid energy minimization of NMR-derived structures using the Universal Force Field (UFF) and NOE distance restraints.

Coming Soon#

While AlphaFold 2, Chai-1, and Boltz-1x already make it possible to predict biomolecular structures in just a few clicks from SAMSON (Home > Predict), Boltz 2, the latest model that also predicts binding affinities, is being added right now and will become available very soon. As usual, you'll just have to restart your SAMSON to get the update.

Predict biomolecular structures

SAMSON 2025 R3, the upcoming release, will also introduce major new core functionalities for data science, and we can't wait to tell you more about it.

Have suggestions or feature requests? Let us know.