Mastering Conformation Attributes in Molecular Modeling

Understanding and navigating molecular conformations is a key challenge for molecular modelers. SAMSON, the integrative molecular design platform, offers powerful tools to simplify this process. Among them, the conformation attribute space within the Node Specification Language (NSL) provides a flexible…

Discover Key Features with SAMSON Webinar Recordings

As a molecular modeler, staying up-to-date with new tools and techniques is crucial for efficiency and precision in your work. However, it can often be challenging to adapt to evolving platforms or explore features without disrupting your workflow. If you’ve…

Choosing the Right Bond Update Mode in UMA Force Fields.

Molecular modelers often face challenges when balancing automated force field adjustments and maintaining interpretability in simulations. SAMSON’s UMA Force Field offers specialized features to address this pain point. One of the key aspects of customizing simulations in UMA is the…

Refining Molecular Transition Paths with P-NEB in SAMSON

Molecular modeling often involves studying the transitions between different conformations of a system, such as ligand unbinding pathways or chemical reactions. A major challenge is to refine rough or preliminary pathways into physically meaningful transitions that accurately represent the intermediate…