When visualizing molecular dynamics, static snapshots don’t always capture the full story. Animations help, but they introduce a common problem: as atoms move along a trajectory, it’s easy to lose sight of the specific region or molecule you’re interested in.…

Defects play a major role in the properties of crystalline materials: they can influence conductivity, hardness, optical behavior, and more. Yet, modeling them can be time-consuming if you’re not equipped with the right tools. If you’re exploring how imperfections affect…

One of the most repetitive (and error-prone) tasks in molecular modeling is selecting atoms or groups of atoms located close to a residue, a ligand, or a functional group. Whether you’re preparing a simulation, inspecting an interaction site, or filtering…

Sharing scientific discoveries effectively often means going beyond static visuals. Molecular modelers today are increasingly asked to create engaging and clear presentations, whether for publications, teaching, or collaboration. One recurring challenge is: how to animate molecular scenes smoothly, without spending…

If you’re working in molecular modeling, you know how important it is to have software that works seamlessly on your system. SAMSON, the integrative platform for molecular design and nanoscience, supports multiple operating systems—but what exactly is supported, and what…

When performing Potential of Mean Force (PMF) calculations, one of the most overlooked yet critical steps is the assessment of histogram coverage. If you’ve ever struggled to understand whether your simulation results are actually telling you the whole story, this…

Anyone who builds molecular systems knows how time-consuming and repetitive it can be to manually duplicate and arrange atomic units in nanoscale patterns. Whether you’re modeling a nanotube, assembling a biomolecular superstructure, or creating a mesoscopic material, controlling the arrangement…

In a world where collaboration in molecular modeling is increasingly international and digital, it matters how easily others can find and connect with you. Whether you’re analyzing protein-ligand interactions, designing materials, or running simulations in the cloud, having a visible—and…

One of the common challenges in molecular modeling is demonstrating how ligands or molecular fragments interact with a receptor in a clear and dynamic way. While molecular docking offers powerful insights, animating these docking events to communicate mechanisms to colleagues…