Author: OneAngstrom

For molecular modelers, preparing and validating protein structures is a critical step before embarking on tasks like docking, molecular dynamics, or drug design. Without careful preparation, downstream tasks can encounter inaccuracies or even fail completely. If you’ve ever struggled with…

For molecular modelers, a common challenge involves efficiently modifying and analyzing atomic properties within large molecular structures. Repetitive tasks like adjusting atom positions, filtering specific atoms, or applying mathematical patterns can be both time-consuming and tedious. What if there were…

For molecular modelers, visualizing and understanding molecular dynamics and interactions is crucial. However, monitoring and documenting the paths that atoms traverse during simulations or animations can be a time-consuming challenge. With SAMSON’s Record path animation tool, this often tedious task…

Managing water molecules in a molecular system can be a crucial step in setting up accurate molecular simulations. Improper handling of crystal waters—especially tightly bound or active-site waters—can lead to inaccurate results or unnecessary computational cost. This blog post focuses…

One of the pivotal considerations in molecular simulations involving periodic boundary conditions is the choice of the unit cell. For researchers and modelers looking to optimize their computational resources while maintaining accuracy, selecting the correct unit cell can make a…

For molecular modelers aiming to simulate realistic biomolecular environments, creating lipid layers around proteins is often a crucial step. Lipid membranes play a fundamental role in cellular processes, and replicating these environments in silico can provide key insights into molecular…

For molecular modelers working with advanced DNA nanostructures, transferring designs between different tools can be a time-intensive task. Whether you’re leveraging designs from Cadnano or incorporating previously-created components, ensuring a smooth import can save hours of manual rework. This is…

For molecular modelers, managing tools and functionalities can often become a time-consuming ordeal. How do you efficiently add functionalities tailored to your needs, experiment with new tools, or ensure a seamless integration? The SAMSON Extensions Marketplace offers a one-stop solution…

Molecular modelers often face significant challenges when analyzing protein conformational transitions. Whether you’re preparing reaction coordinates for free energy simulations or studying functional dynamics, generating smooth and realistic transition paths between protein structures can be daunting. The As-Rigid-As-Possible (ARAP) Interpolator…

For molecular modelers and researchers, building meaningful connections and sharing expertise can be a game-changer for career growth and collaborations. SAMSON Connect offers a robust platform where you can create a compelling public profile to showcase your skills and work.…