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If you’re a molecular modeler, you’ve likely faced the challenge of optimizing only a specific part of a molecule while keeping the remainder intact. This level of precision is crucial, for instance, when you’re studying local conformational changes or specific…

Understanding correlations and trends in molecular simulations is crucial for researchers and modelers aiming to decipher complex molecular behaviors. Often, raw data from simulations can be overwhelming, and trying to make sense of it may feel like searching for a…

Molecular modelers often face the challenge of securely sharing complex files with collaborators while maintaining control over access rights. Whether you’re working as part of an academic team or within the private sector, efficient document sharing is a critical part…

Protein-ligand docking is a crucial task for molecular modelers aiming to predict the optimal binding between drug candidates and target proteins. One of the key steps to achieving accurate results is the proper setup of the search domain. Why? Because…

When setting up molecular dynamics simulations, selecting the right simulation box is crucial. The GROMACS Wizard in SAMSON makes it easier to customize and optimize your setup, but how do you choose the perfect box shape? Let’s explore how different…

One common challenge in molecular modeling is efficiently managing the visibility of nodes to focus on specific aspects of your model. Whether you’re preparing a presentation or focusing on dynamic interactions, adjusting node visibility manually can take significant time and…

When working on molecular modeling tasks, examining and editing the properties of molecular nodes is an essential part of the workflow. However, as the complexity of your system grows, so does the number of visible attributes for each selected node.…