Author: OneAngstrom

Energy minimization is one of the most common steps performed in molecular modeling workflows. Whether you’re about to run a molecular dynamics simulation or preparing a system for docking, minimizing the system helps eliminate steric clashes and unrealistic geometries. But…

Setting up coarse-grained (CG) molecular simulations can be rewarding—but also tricky. One of the most common setup issues for newcomers and experienced users alike is related to solvent behavior. CG models, especially those using the popular MARTINI force field, coarse-grain…

When working with complex molecular structures, identifying and isolating regions of interest—binding sites, side chains, specific residues across chains—can be time-consuming, especially across large molecular systems. Traditionally, this requires either manual inspection or scripting in specialized query languages. SAMSON AI,…

When creating molecular animations, showcasing specific regions of your system often means more than simply rotating a structure or zooming in. Many researchers face the challenge of highlighting a pathway, an interface, or an elongated molecular system in a progressive…

Working on molecular systems often demands focus, clarity, and efficiency. And yet, one of the most common frustrations voiced by new and experienced SAMSON users alike is finding and organizing the right tools at the right time. Between document views,…

One common challenge molecular modelers face when presenting their work is managing visual clarity. Whether you’re building a complex mechanistic animation or simply highlighting a specific part of a molecule, the need to temporarily hide certain elements for clarity is…

One of the most common challenges in protein-protein docking is managing the enormous search space—which often results in high computational costs and a surplus of false positives. If you know the likely binding region in advance, there’s a simple way…

Visualizing structural changes in biomolecules isn’t just about seeing movement — it’s about understanding the dynamics of life at the molecular level. Whether you’re preparing a presentation or analyzing how a ligand docked, playing back trajectory paths in a clear…