Molecular modelers often face an important challenge when setting up simulations: selecting the appropriate unit cell shape and size. The choice directly influences the efficiency and accuracy of the simulation, especially when working with periodic boundary conditions (PBC). The GROMACS…

For molecular modelers, setting up non-covalent protein-ligand docking workflows can be intricate and time-consuming, particularly when handling system preparation and ensuring optimal docking parameters. The FITTED Suite SAMSON Extension, integrated within the powerful SAMSON platform, offers an easy-to-understand and automated…

If you're a molecular modeler, you know how important visualization is to conveying complex molecular interactions or structures effectively. But what if there was a way to make your models more interactive and visually engaging? Enter the Pulse animation in…

When dealing with proteins, understanding their conformational behavior is crucial for molecular modeling. Yet, it often becomes tricky to inspect backbone conformations and detect irregularities within seconds. This is where the Ramachandran plot comes in – an invaluable tool offered…

Are the icons in your SAMSON interface too small to see comfortably on your high DPI monitor? High DPI displays are excellent for sharp visuals and precise details, but they can sometimes cause scaling issues with certain software applications. SAMSON…

If you’ve ever struggled with substituting atoms or fragments in molecular structures without breaking your model, you’re not alone. Molecular modeling often requires precise control over atom substitutions while maintaining plausibility, and this is where SAMSON’s intuitive tools can save…

Efficiency is crucial when working on complex molecular modeling tasks, and being able to manage Python packages directly within your modeling platform can be a game-changer. If you’re using SAMSON, you have all the tools you need to install, manage,…