Author: OneAngstrom

Defects in crystals play a critical role in determining their mechanical, optical, and electronic properties. For molecular modelers, simulating such imperfections can provide insights into material behavior and help design new materials tailored for specific applications. With the Crystal Creator…

Molecular modeling can be a complex and resource-demanding task. Whether you’re working on protein docking, molecular dynamics, or other computational chemistry workflows, every professional has one pressing need: simplifying their processes while retaining reliability. This is where SAMSON Apps come…

Creating multiple replicas of molecular structures can be an essential step in preparing for simulations, especially when dealing with systems containing repeated units or multiple copies of the same protein. In SAMSON, this process can be streamlined and enhanced using…

Have you ever wondered how proteins arrange themselves in their crystal structures or biological assemblies? For molecular modelers, reconstructing these arrangements is crucial for understanding protein interactions and designing experiments. The Symmetry Mate Editor in SAMSON offers a powerful way…

Managing molecular data can become overwhelming, especially when working with complex molecular hierarchies. For molecular modelers, SAMSON offers a highly efficient solution through its document framework. In this post, we’ll explore how you can navigate, view, and manage documents effectively…

Fine-tuning molecular dynamics simulations is a common challenge for molecular modelers, especially when default settings don’t match project-specific needs. Luckily, SAMSON’s GROMACS Wizard makes it simpler to customize simulation parameters, offering a robust and adaptable solution for researchers. Why Adjust…

Preparing a coarse-grained (CG) model for molecular simulations can be challenging, especially when dealing with periodic boxes, solvent models, ions, and force fields. For many molecular modelers, the complexity of setting up a simulation-ready CG system often slows progress. Thankfully,…