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For molecular modelers working with complex structures, manipulating groups of atoms with precision is essential. A common challenge in this domain is how to visually and computationally undock structural nodes or meshes without spending excessive time on manual repositioning. SAMSON’s…

For molecular modelers, building accurate carbon nanotube (CNT) structures can be a time-consuming and technical process. Whether you are designing nanodevices, studying mechanical properties, or simulating molecular transport, the ability to quickly and precisely create CNTs is crucial. This is…

Interactive molecular modeling can be both a rewarding and frustrating experience, especially when it comes to significant structural changes. If you’ve ever faced challenges when trying to simulate covalent bond formation, breakage, or other dynamic topological updates in molecular systems,…

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…