Author: OneAngstrom

Molecular modelers often face the challenge of accurately editing molecular structures while maintaining physical consistency. This task becomes especially complex when structural changes such as bond formation and breaking need to be dynamically accounted for during simulations. Fortunately, SAMSON’s Interactive…

For molecular modelers, keeping track of structural transformations in proteins is crucial, especially when analyzing dynamics, folding mechanisms, or the effects of mutations. How do you efficiently quantify the backbone’s structural state over an entire trajectory? This is where the…

Molecular modeling often requires an accurate analysis of how molecular shapes evolve along specific paths or trajectories. For researchers dealing with complex trajectories or seeking deeper insights into shape anisotropy, relying solely on simple metrics like the radius of gyration…

Molecular modeling often involves computationally demanding tasks such as protein structure prediction or molecular dynamics simulations. Managing these cloud-based computations efficiently can be a challenge for researchers juggling multiple projects. If you’ve ever found yourself searching for a centralized way…

Protein-protein docking predictions hold immense potential in drug discovery and molecular modeling, but ensuring your proteins are properly prepared before docking can be a daunting task. Unprepared or poorly-prepared structures often lead to inaccurate results, wasted computing resources, and misinterpretation…