Unveiling the Power of Energy Landscapes in Molecular Modeling

When working in molecular modeling, understanding the transitions and energy states of a molecular path is a critical aspect of solving complex molecular problems. Yet, analyzing large-scale simulations to identify low-energy regions, basins, or state transitions can quickly become overwhelming.…

Streamline Molecular Modeling by Sharing and Managing Cloud Jobs

Molecular modelers frequently rely on cloud computation services for running complex simulations, predictions, and analyses. However, organizing, sharing, and managing the computational jobs effectively can often be a challenge, especially when collaborating across teams and institutions. That’s where SAMSON’s cloud…

Why Asphericity Matters in Molecular Modeling

For molecular modelers, understanding shape changes in structures during simulations is a common yet complex task. With complex biomolecules, how can you effectively track how far a group deviates from a simple spherical shape without resorting to oversimplified metrics? Enter…

Streamlining Molecular Visualization with Visual Presets

Molecular modelers often grapple with the challenge of visualizing complex molecular systems in an effective and time-saving manner. Customizing individual visual representations and applying appropriate color schemes can be both tedious and resource-intensive, especially for large systems. If you’ve ever…

Understanding Conformation Attributes in SAMSON’s NSL

Molecular modelers frequently encounter the challenge of selecting, categorizing, or filtering conformation nodes based on specific parameters. This is where SAMSON’s Node Specification Language (NSL) comes into play, offering robust tools to simplify such tasks. In this post, we will…

An Introduction to Visibility Management in SAMSON’s NSL

When working on intricate molecular models, one common challenge molecular modelers face is organizing and managing visibility within their data. In extensive graphs with multiple structural elements, visual clutter can quickly become overwhelming. SAMSON’s Node Specification Language (NSL) provides tools…

Understanding the SARS-CoV-2 Spike Opening Motion

For molecular modelers working on viral proteins, a key challenge often lies in understanding the motion and dynamics of key components of the virus. The SARS-CoV-2 spike protein – the mechanism the virus uses to enter human cells – is…