For molecular modelers, configuring simulations can involve tedious steps. If you’ve been seeking a simpler yet robust approach to simulate molecular systems, SAMSON’s Universal Force Field (UFF) implementation is designed with your needs in mind. This blog post will walk…

For molecular modelers, precise control over the placement of atoms, molecules, and other elements often remains a daunting challenge. The tiniest inaccuracies can lead to hours of troubleshooting or incorrect results. That’s where SAMSON comes in with incredible tools to…

One of the challenges molecular modelers often face is effectively analyzing the global shape of a molecular path or trajectory. While compactness-related metrics like the radius of gyration are commonly employed, they may not fully capture shape anisotropies and transitions…

Molecular modeling often requires fine-tuning to accurately simulate complex systems. One common challenge faced by molecular modelers is adapting molecular dynamics (MD) parameters to specific research needs. Fortunately, the GROMACS Wizard in SAMSON simplifies this task by allowing you to…

Preparing a protein for molecular modeling, docking, or simulations goes beyond simply obtaining the structure. Issues like alternate locations, steric clashes, missing atoms, or non-standard residues can lead to inaccurate results or even simulation failures. For molecular modelers, addressing these…

Molecular modelers face numerous challenges in evaluating free energy landscapes, and creating a robust Potential of Mean Force (PMF) profile can be one of them. A PMF profile not only elucidates reaction mechanisms but also assists in understanding stability and…