Author: OneAngstrom

One of the most common frustrations molecular modelers face when analyzing molecular structures is the accidental loss of measurements between atoms. Whether you’re checking hydrogen bond lengths, backbone distances, or tracking how structures change during simulations, a single misclick can…

Creating compelling molecular animations is a key part of communicating scientific ideas, whether you’re presenting to colleagues, teaching a class, or publishing online. But just like in a good video or film, sometimes it’s all about the pause. A precise…

Molecular modeling often means juggling multiple views, parameters, history logs, editors, and tools — sometimes all in the same session. For many users of platforms like SAMSON, this results in a frustrating reality: spending valuable time rearranging interface elements every…

Anyone who regularly models molecular systems knows that managing atom, residue, or structural selections can quickly become a tedious and error-prone task. Whether you’re dealing with large protein complexes, ligands, or custom structural groups, clicking through endless menus or misclicking…

When setting up molecular dynamics simulations, especially with approximately spherical molecules in solution, most modelers focus heavily on force fields and solvent types. Yet, there’s an often-overlooked choice that can bring significant performance benefits: the shape of the unit cell…

Exploring the effects of small chemical modifications on a lead compound is a daily task for many molecular modelers, particularly when optimizing a series of analogs for desirable properties like potency, selectivity, or ADMET characteristics. However, this form of structure-activity…

Molecular modelers often face the challenge of presenting their work in a clear and intuitive manner. When creating animations of molecular systems—whether for presentations, publications, or teaching—controlling *when* specific atoms or groups become visible is essential. Flickering atoms or unclear…