Simplify Molecular Modeling with Custom GROMACS Versions

If you’re a molecular modeler, you’ve likely encountered the need for precise reproducibility or compatibility with specific software versions. When working with GROMACS Wizard on SAMSON, you’re in luck: it allows you to use a custom version of GROMACS instead…

Streamlining COM Pulling Simulations in Molecular Modeling.

Center-of-mass (COM) pulling simulations are an essential tool for molecular modelers aiming to explore interactions or dissociations between molecular systems. Traditionally, setting up such simulations can be quite intricate, requiring careful attention to system preparation, box dimensions, and pulling parameters.…

Making Custom Monomers for Polymers in SAMSON.

For anyone tackling molecular modeling challenges, creating custom polymers with precise structural requirements can be a daunting task. That’s where SAMSON’s Polymer Builder Extension steps in — offering the ability to design flexible, complex polymers from scratch using custom monomers.…

Simplifying Custom Monomer Registration in Polymer Builder

One of the challenges faced by molecular modelers is the efficient creation of custom polymers for simulation or design. The Polymer Builder extension in SAMSON provides an intuitive solution to this problem through its monomer registration feature. This feature allows…

Mastering Folder Attributes for Molecular Organization in SAMSON.

Molecular modeling often comes with the challenge of effectively organizing and analyzing vast amounts of structural data. If you’ve ever struggled with navigating and filtering hierarchical data structures—like folders containing molecular entities—help is here. In this article, we’ll explore how…

Optimizing Ligand Pathway Search with Custom Sampling Boxes

Molecular modelers frequently face a challenge when defining efficient search spaces for ligand unbinding pathways. The right configuration of search domains can significantly impact the quality of discovered pathways, ensuring they align with real biological mechanisms. In this blog post,…