Relax Transition Paths with the P-NEB Method in SAMSON

Why Relaxing Transition Paths Matters Molecular modelers often face the challenge of resolving biologically or chemically significant transition states between different conformations or structures. These transitions, though critical to understanding molecular behavior, tend to start from rough, physically ambiguous paths…

Understanding Molecular Torsions with Dihedral Analysis in SAMSON

One of the common challenges for molecular modelers is understanding the complex torsional motions in molecules. Whether you’re investigating backbone torsions, rotamers, or collective twisting motions, the ability to quantify dihedral angles along molecular paths is crucial. The Dihedral analysis…

Mastering Interactive Simulations in SAMSON: A Step-By-Step Guide

Molecular modelers often face the challenge of intuitively visualizing and manipulating simulations. This can be crucial when studying molecular properties, understanding dynamics, or preparing systems for more advanced computations. With SAMSON, interactive simulations provide users with the possibility to interact…