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I am using BIOVIA Materials Studio (Forcite MD) to analyze a vapor/liquid system, where the liquid layer is in the middle of the cell. I want to calculate a density profile along the z-axis using the Concentration profiles in Forcite --> analysis. However, the liquid layer is moved along z-axis during MD runs, so the concentration cannot be calculated correctly. My question is how to remove such

BIOVIA MATERIALS STUDIO

IntroductionUnderstanding the role of water molecules in protein-ligand interactions is critical for rational drug design. Water molecules can mediate binding, stabilize conformations, or even act as bridges between ligands and their targets. In this workflow, we will compare the positions of water molecules across multiple protein-ligand complexes to identify those that are conserved and potentia

BIOVIA DRUG DISCOVERY & DEVELOPMENT

Today marks a milestone in how the industry works. Virtual Companions — Aura, Leo, and Marie — are now globally available on the 3DEXPERIENCE platform SaaS, in the Age of Industrial AI.More than AI assistants, Virtual Companions are trusted experts who embody decades of industrial knowledge and know-how. They understand your intent, reason with Industry World Models grounded in the laws of physics

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