Designing analogues and exploring chemical space are central tasks in molecular modeling and drug discovery. However, generating chemical libraries using conventional cheminformatics workflows can often be time-consuming and require custom scripting or external software tools. The Replace fragments feature of…

Switching between different molecular orientations and projections is a common—and sometimes frustrating—task in molecular modeling. Whether you’re aligning molecules, creating visuals, or inspecting specific structural features like active sites or crystal lattices, constantly rotating, zooming, and panning your model can…

When preparing molecular animations or presentations, a common issue many molecular modelers face is how to generate smooth, visually informative rotations around a structure. You want to highlight a molecular assembly from all angles, but manually moving the camera frame…

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…