Author: OneAngstrom

Collaborating on molecular projects often involves more than just sharing a molecular structure. From scripts and input files to figures and related data, managing and organizing all the assets linked to a research project can be a challenge—especially when working…

One of the frequent challenges molecular modelers face is sharing and reproducing complex projects across different machines or teams. If your simulation or model depends not only on molecular structures but also on associated images, scripts, or data files, transferring…

Computing the Potential of Mean Force (PMF) is a critical task in molecular modeling, especially when investigating molecular interactions and energetic landscapes. However, running umbrella sampling simulations is only half the job—getting accurate PMF results from the output can be…

In traditional molecular modeling workflows, editing structures often means stopping the simulation, changing the topology manually, and restarting the process. This interrupts modeling intuition and introduces friction, especially during rapid prototyping or educational demonstrations. Wouldn’t it be more natural to…

If you’re a molecular modeler working in a restricted computing environment—such as a university lab or a corporate workstation—you’ve likely had this happen: you find a tool that looks ideal for your needs, but it requires administrative privileges to install.…

Adding lipid bilayers around membrane proteins is often a crucial step in setting up biologically relevant molecular dynamics simulations. But manually constructing these bilayers can be a tedious and error-prone task, especially when trying to avoid overlaps or ensure correct…

When studying complex molecular systems, clarity is key. Whether presenting research, teaching, or navigating your own data-rich models, the ability to differentiate components visually can make all the difference. This is where color palettes play a crucial role. SAMSON provides…

When designing new molecules, small changes can make a big difference. Medicinal chemists often tweak functional groups or atoms to study how modifications affect binding properties, solubility, or selectivity. But making these changes manually — especially across multiple sites in…