One often overlooked step in molecular docking workflows — especially when dealing with large compound libraries — is ligand minimization before docking. This step can significantly affect the quality and efficiency of your docking results. In this blog post, we…

For many molecular modelers, the challenge begins once a system has been prepared: where do you find the computational power to run your molecular dynamics simulations? GROMACS is a fast and versatile engine, but preparing your system locally, worrying about…

Creating engaging, informative molecular presentations can be time consuming—especially when you’re trying to smoothly showcase how molecular structures come together. Traditional animations often require manual keyframe positioning or external rendering tools just to achieve a simple assembly effect. That’s where…

Molecular modeling often requires researchers to juggle between different tools—running simulations in one software, visualizing results in another, and scripting custom analyses somewhere else. This not only increases the risk of errors during data transfer, but it also wastes valuable…

Imagine this: you’ve just discovered a useful SAMSON Extension on the SAMSON Connect Marketplace, clicked “Add”, reopened SAMSON with anticipation… but the extension is nowhere to be found. It’s a common pain point for molecular modelers using SAMSON for the…

Working with molecular dynamics (MD) simulations often requires detailed control over simulation parameters to achieve accurate and reproducible results. For researchers using GROMACS, this usually entails editing the MDP (Molecular Dynamics Parameters) files manually—a process that can be frustrating due…

Building biologically relevant molecular systems often involves embedding a protein within a lipid bilayer or surrounding it with a lipid monolayer. For molecular modelers, manually placing lipids around complex protein structures can be time-consuming and error-prone. Ensuring correct orientation, packing…