A Faster Way to Explore Molecular Variants in 3D

One of the common pain points for medicinal and computational chemists is the time-consuming process of designing structural analogs and evaluating how small chemical modifications influence molecular interactions. Whether you’re testing binding affinity changes or investigating interaction patterns with a…

Avoiding Solvent Clashes in Coarse-Grained Molecular Dynamics

When preparing coarse-grained (CG) molecular systems using GROMACS, one frequent source of frustration for modelers is unexpected initial clashes or abnormal solvent behavior during equilibration. If you’ve been there — puzzled by poor density or unstable simulations — the issue…

Smooth Transitions Between Slides and Molecules in SAMSON

When presenting molecular models to colleagues or during lectures, it can be helpful to integrate context — whether that’s explanatory slides, background visuals, or subtle environmental cues. Yet, switching abruptly between molecular views and background content can feel disjointed. This…