Dock thousands of ligands into proteins and rank them with AutoDock Vina.
Perform covalent and non-covalent protein-ligand docking with the FITTED Suite by Molecular Forecaster
Build glycans using a library of monosaccharides
Prepare, minimize, equilibrate, and simulate systems using GROMACS on your computer or in the cloud.
Perform protein-protein docking.
Simulate with an adaptive version of the Lennard-Jones potential.
Adenita is a toolkit for the modeling and visualization of DNA Nanostructures.
Generate paths between two protein conformations within a few seconds thanks to ARAP interpolation.
Select atoms based on expressions with NSL-like variables, standard mathematical and logical operations.
Prepare proteins in a batch: remove alt. locations, water, ligands, ions, add hydrogens.
Compute the bond angle distribution of the selected atoms.
Visualize the angle, bond, and projected bond distortions of a molecular or crystalic structure.
Perform interactive simulations of carbon nanotubes, graphene and hydrocarbon systems. Build complex geometries thanks to this reactive force field.
A game where you build optimal assemblies of interacting atoms.
Compute low-energy conformers of small molecules.
Generate crystal models in a few clicks. Describe unit cells, import CIF files, model defects and impurities. Cut crystals.
A game where you search and build molecules.
Export atoms along paths in PDB files.
View the exposed functionality of SAMSON Extensions
Optimize molecular structures with FIRE.
Build a graphene model from a TEM image
Create a graphene sheet in one click.
Perform interactive simulations with GROMACS force fields.
Find and visualize hydrogen bonds.
Simulate molecular systems using this generalized, Interactive-Modeling version of the Universal Force Field capable of with automatic bond creation a...
Display Ramachandran diagram of selected residues. Move a residue on the plot and see the effect it has on the protein.
Predict mechanisms of toxic action of molecules.
The Lennard-Jones interaction model.
Find ligand unbinding pathways from a protein within minutes.
Find ligand unbinding pathways within minutes with the new ART-RRT method.
Want to check logs and outputs? This extension redirects C/C++ standard streams and Qt messages.
Create a carbon nanotube in just two clicks.
Compute nonlinear normal modes that open and close binding pockets of proteins.
Compute the nonlinear normal modes of a molecular system (protein, RNA, DNA) very quickly using the NOLB algorithm developed by Alexandre Hoffmann and...
Use a parallel implementation of the nudged elastic band (NEB) method to find saddle points and minimum-energy paths.
Visualize paths of a set of atoms.
Create a trajectory (path) based on a series of PDB files.
Rapidly compute small-angle X-ray scattering profiles.
Move the camera in orbit or FPS mode with your feet
Visualize MOFs and crystals with Polyhedrons
Align multiple sequences and structures of proteins.
Find protein conformational transition paths within minutes.
Find protein conformational transition paths within minutes with the newly developed ART-RRT method.
Analyze protein-ligand interactions
Modify an amino acid residue into its rotamer or mutate it into an amino acid residue of a different type.
Want to create a SAMSON Extension ? Generate source code from a template in a few clicks and start developing.
Package and validate a SAMSON Extension you developed to publish it on SAMSON Connect.
Basic geometry and concentration statistics for the selected atoms.
Modify atoms' parameters (position, selection, etc) using a simple scripting language, NSL-like variables, mathematical and logical operations.
Import thousands of SMILES codes. Filter them using custom patterns. Modify them and generate their corresponding 2D image. Add them to the SAMSON Doc...
Detect axes of cyclic, dihedral and cubic symmetries in protein complexes.
Interactively generate symmetry mates of a protein based on the crystallographic information from a pdb file.
Construct transition metal dichalcogenide monolayers from experimental images.
Generate UUIDs directly from SAMSON in one click.
Visualize, build and simulate in virtual reality.