Author: OneAngstrom

Molecular docking can be a critical step in understanding protein-ligand interactions and predicting binding affinities. However, setting up ligands properly—whether single ligands or libraries—can often seem daunting. In this blog post, we’ll take a deep dive into the process of…

Molecular modeling often involves working with complex systems containing multiple molecules. However, sometimes you need to focus on just one molecule within the system for optimization. If you’ve ever wondered how to minimize just a single molecule without affecting the…

Molecular modelers often need to create clear, dynamic visualizations to communicate complex structures and phenomena. One recurring challenge is moving the camera fluidly and precisely through a presentation while maintaining control over the viewpoint. If you’ve been struggling with this,…

Molecular modeling often involves simulating interactions between structures, like proteins and ligands, or analyzing docking poses of molecules. A key challenge for modelers is efficiently and accurately positioning groups of atoms or meshes into docked configurations, especially when creating animations…

Transparency often plays a critical role in presenting molecular models effectively. But how do you seamlessly show and hide details without overwhelming the viewer? That's exactly where the Pulse animation in the SAMSON platform comes into play. If you're working…

If you are a molecular modeler or researcher studying SARS-CoV-2, understanding the motion of the viral spike protein is crucial. The spike protein is central to the virus’s ability to infect human cells, transitioning from a closed state to an…

For molecular modelers, collaboration often involves juggling countless files, managing access permissions, and making sure the right people have the latest information. These tasks, though necessary, can consume valuable time better spent on actual research and design. Thankfully, SAMSON Connect…

If you’re a molecular modeler using GROMACS for your simulations, there’s a high chance you’ve encountered the need to rely on a specific version of GROMACS for reproducibility or to meet the requirements of your workflow. SAMSON’s GROMACS Wizard has…

For molecular modelers, one recurring challenge lies in efficiently performing molecular dynamics simulations without overburdening local computational resources. If you’ve ever struggled with resource limitations while trying to simulate large systems, GROMACS Wizard in SAMSON can provide a cloud-powered solution…