Many molecular modelers face the same issue when trying to present complex molecular structures or processes through animations: everything moves too quickly for their audience to follow 👀. You’ve likely spent hours crafting a presentation in SAMSON, carefully selecting keyframes…

Index groups are essential in molecular dynamics simulations—they allow you to define specific atomic groups for further analysis or to apply forces during a simulation. GROMACS automatically generates standard index groups like Protein, Water, and Ions. But often, modelers need…

Whether you’re analyzing the dynamics of a ligand interacting with its binding pocket or observing the conformational changes of a flexible protein domain, maintaining a clear visual focus on the region of interest throughout a molecular animation can be difficult.…

In scientific visualization, clarity is key. Molecular modelers often struggle to convey transitions over time—such as decay, motion, or a process that reveals structures progressively—while maintaining visual coherence. If you’ve ever needed to make parts of your molecular model fade…

Running molecular dynamics (MD) simulations often involves long preparation steps, software installation and compilation, and configuration of local computing resources. If you’re working in a constrained environment (e.g., a classroom, a shared lab PC, or just traveling with a lightweight…

Communicating molecular interactions often involves not only showing how components come together, but also how they come apart. Whether you’re demonstrating ligand departure, the dissociation of a protein complex, or just separating structural components in a clear visual, choosing the…

Running complex simulations like molecular dynamics with GROMACS or predicting protein structures with AlphaFold often means dealing with long runtimes and high computational requirements. These tasks can significantly slow down your local system or require powerful hardware that is not…

In molecular modeling, geometry optimization is fundamental—whether you’re prepping a structure for simulation, cleaning up PDB data, or simply hunting for a local energy minimum. Yet, many continue to rely on the steepest descent algorithm, even when faster, more suitable…

When working with complex molecular systems, properly distinguishing between structures, regions, or types of data is critical. One challenge that comes up often in molecular modeling: how do you make your models visually clear and easy to interpret at a…