Molecular modelers face a critical challenge when simulating ligand unbinding pathways: defining a precise and efficient sampling region. The sampling box directly impacts the pathway exploration results, playing a crucial role in ensuring the simulation is both accurate and computationally…

One common pain point for molecular modelers is maintaining a consistent view of a molecular system while working on complex animations or navigating the molecular environment. Changes in the camera’s perspective can disrupt the workflow and make it harder to…

For molecular modelers, visualizing and designing molecular interactions can often feel like navigating through a maze of complexity. Imagine if you could seamlessly bridge 3D molecular views with intuitive 2D interaction diagrams. Meet the Interaction Designer in SAMSON, a tool…

One of the challenges in molecular modeling lies in effectively visualizing and analyzing the complex trajectories generated during simulations. Whether you’re cycling through conformations or revisiting molecular dynamics paths, the ability to reverse those pathways can provide useful insights. SAMSON's…

One of the essential challenges in molecular modeling is efficiently selecting and managing residues across various views of a molecular structure. Whether you are analyzing a protein sequence, refining structural models, or applying specific visual styles to residues, maintaining synchronization…

Molecular modelers often face challenges when visualizing complex molecular structures. One frequent issue is accurately perceiving depth in intricate models, which can be critical for interpreting configurations and spatial relationships. If you’ve ever struggled with distinguishing overlapping regions in a…

Molecular modeling is an incredibly versatile field, requiring tools that can adapt to various tasks such as analyzing structures, simulating molecular dynamics, or integrating with other software. However, finding tools that work seamlessly in a unified platform can often be…

For molecular modelers looking to streamline workflows, increase efficiency, and automate repetitive tasks, the Python Console in SAMSON might be your next best ally. Whether you’re an experienced coder or a molecular science enthusiast exploring scripting possibilities, this blog post…

For molecular modelers, ensuring that a protein structure is realistic and energetically favorable often involves handling local conformational tweaks. Spotting and correcting outliers among residues is a common pain point, especially when preparing for simulations or refining models. In this…