Analyzing protein-protein interactions and constructing realistic molecular models are everyday tasks for molecular modelers. However, reconstructing biological assemblies or understanding how proteins interact in their natural symmetric forms can be a daunting task without the right tools. The Symmetry Mate…

For molecular modelers, capturing and analyzing atomic movements along defined paths can be invaluable for understanding reaction mechanisms, ligand binding, and free energy calculations. However, extracting accurate trajectory data efficiently is often a complex task. The Export Along Paths extension…

Protein modeling often requires fine-tuning the conformation of residues to ensure the structural integrity of the model. If you’ve struggled with validating or refining specific regions of your protein, the Interactive Ramachandran Plot in SAMSON can be a game-changer. This…

When working with molecular simulations, selecting the most appropriate unit cell shape and dimensions is crucial for achieving efficient and accurate results. This blog post will guide you through the options available for space-filling unit cells supported by the GROMACS…

Collaborative work in molecular design often involves sharing documents like models, simulations, or research reports with colleagues, research groups, or external partners. SAMSON Connect offers robust features for securely sharing and managing documents, streamlining collaboration across diverse projects—all while giving…

Visualizing molecular structures is essential for molecular modelers, but delivering animations that convey structural transformations effectively can be challenging. Imagine you want atoms and bonds in your molecular model to gradually appear, adding a dramatic and insightful touch to your…

Creating engaging molecular presentations often requires precise control over animations to emphasize key points or allow viewers to process complex concepts. One common challenge is giving the audience enough time at specific frames before the presentation moves forward. This is…

When preparing molecular systems for simulation, tightly bound crystal waters or functional active-site waters play a critical role in maintaining the structure or activity of the system. However, unnecessary waters outside the active site can inflate the simulation time and…

Molecular modeling involves creating, manipulating, and analyzing molecular structures, and it often requires precise tools to make these tasks effective and time-efficient. This is where SAMSON’s Editors come into play, offering a set of powerful tools to address a common…