Molecular modellers frequently struggle with identifying ligand unbinding pathways from protein structures—a critical step in understanding molecular interactions. The SAMSON Ligand Path Finder is specifically designed to address this challenge. If you’ve ever found yourself spending hours manually exploring binding…

When working on molecular modeling, maintaining focus on a specific region of your system during animations can often feel like a complex task. Whether you are exploring molecular trajectories or visualizing specific interactions, losing track of key atoms can disrupt…

For molecular modelers and researchers diving into the world of SAMSON, the installation process might initially seem like a potential hurdle—especially when dealing with systems without admin rights. Thankfully, SAMSON alleviates this concern with its surprisingly straightforward approach to installation.…

Molecular modelers working on protein-ligand complexes often encounter a critical obstacle: parametrizing ligands for molecular dynamics simulations. This step is essential for ensuring accurate simulations but can be daunting, especially when dealing with non-standard or large ligands. In this guide,…

For molecular modelers, dealing with steric clashes and suboptimal local geometries often becomes a bottleneck in preparing simulations for advanced equilibration. Whether constructing complex biomolecular systems or refining small molecules, achieving properly minimized structures is an essential step before progressing…