Molecular modelers often find themselves grappling with the challenge of processing simulation data to obtain accurate Potential of Mean Force (PMF) profiles. These profiles provide critical insights into molecular interactions, but generating them efficiently while ensuring reliability can be daunting.…

If you’ve ever worked on molecular modeling, you know that precisely organizing molecules in a system can be a daunting task. SAMSON’s Molecular Box Builder comes to the rescue with tools to not only populate your 3D boxes with molecules…

As a molecular modeler, have you ever struggled to keep your focus on a specific part of a dynamic molecular system while visualizing its changes over time? If so, SAMSON’s ‘Look at Atoms’ animation functionality might be exactly what you…

For molecular modelers working with large biological assemblies such as protein complexes or viral capsids, symmetry detection can often feel like a daunting and tedious task. However, identifying symmetry accurately is essential for many workflows: it helps validate molecular structures,…

Efficiency is critical in molecular modeling, where researchers often work with complex structures, large datasets, and elaborate workflows. One common challenge is managing these extensive models and files effectively to maintain a clear overview of research progress. Fortunately, the SAMSON…

For molecular modelers, achieving optimal geometries isn’t just important—it’s essential. But what happens when you want immediate feedback during optimization? That’s where interactive minimization in SAMSON can make all the difference. Let’s take a closer look at how this feature…