For molecular modelers working with complex ligand-protein interactions, understanding unbinding processes often means exploring energy landscapes – and that usually includes optimizing transition paths. This is where SAMSON’s Parallel Nudged Elastic Band (P-NEB) app comes in. If you’ve generated unbinding…

Molecular modelers sometimes need to visually represent atomic motion in custom ways—for simulations, presentations, or educational purposes. But creating smooth, controllable animations without writing code can be a challenge. This is where SAMSON’s Move atoms animation comes in handy. If…

One common challenge for molecular modelers, structural biologists, and those preparing scientific presentations is communicating movement in molecular systems. Showing how a ligand detaches from a receptor, for example, is not only useful for storytelling but also enhances understanding of…

When creating scientific animations of molecular systems, clarity is key. A common challenge arises when trying to zoom in on a specific region of a molecule without inadvertently shifting the viewing target. This can lead to distracting camera movements that…

One of the common pain points for researchers and students working in molecular modeling is the limited computational power available on their local machines. Whether it’s a laptop with modest specs or a workstation already handling heavy tasks, running molecular…

Determining the ideal transition pathway between two molecular states—say, before and after binding—is a core challenge in molecular modeling. Tools like the Parallel Nudged Elastic Band (P-NEB) method help researchers explore the potential energy landscape between structures. But if you’ve…

Molecular modeling often involves many small, consecutive actions—selecting atoms, building fragments, calculating energies, adjusting parameters. But what happens when you make an unintentional change several steps back and don’t notice until it’s too late? With SAMSON, you can breathe easier:…

It’s a common challenge for molecular modelers building scientific animations: how to present complex molecular mechanisms while ensuring the viewer’s attention is focused on the right parts—at the right time. Whether you’re illustrating ligand binding or signaling cascades, controlling when…

If you’ve ever tried to fine-tune your molecular dynamics simulations in GROMACS, you probably know how intimidating it can be to manage .mdp files manually. With models getting increasingly complex, juggling dozens of simulation parameters becomes a source of friction…