Author: OneAngstrom

One common challenge for molecular modelers performing protein-protein docking is efficiently analyzing and interpreting docking results. Without a streamlined workflow, the process can be tedious and time-consuming. Thankfully, the SAMSON Hex Extension simplifies the post-docking analysis of protein conformations, offering…

Molecular modelers often face a critical challenge: achieving stable density during molecular dynamics simulations. This step, known as NPT equilibration, is essential for preparing a system for production simulations. Without the right tools and guidance, the process can be time-consuming…

If you’re a molecular modeler, it’s likely you have faced one of the perennial challenges of mastering a new software platform: locating essential tools in a busy interface. Understanding where the key features reside and how to navigate between them…

One of the critical aspects of molecular modeling with periodic boundary conditions is ensuring compliance with the minimum image rule. If this principle is overlooked during system setup, simulations may produce erroneous results due to artificial interactions of molecules with…

When working on molecular modeling, understanding the spatial organization of atoms is fundamental. If you’ve ever wondered how to analyze the local packing of molecules, solvation structures, or interaction distances between atomic groups, the Radial Distribution Function (RDF) can provide…