Molecular Docking of Drugs with Polymer Capping Agents Using ChemDraw, Chem3D & PyRx (Step-by-Step) скачать в хорошем качестве

Molecular Docking of Drugs with Polymer Capping Agents Using ChemDraw, Chem3D & PyRx (Step-by-Step)

In this tutorial, I demonstrate a step-by-step molecular docking workflow for studying drug–polymer interactions in polymer-capped nanoparticles. The polymer capping agents were used as the docking targets to evaluate their interaction with selected drug molecules. Software used in this video: 🔹 ChemDraw – for drawing chemical structures 🔹 Chem3D – for 3D structure optimization and energy minimization 🔹 PyRx (AutoDock Vina) – for molecular docking analysis This tutorial is useful for students and researchers working in nanomedicine, drug delivery, computational chemistry, and molecular modeling, especially those interested in polymer-based nanoparticle systems. 📌 Topics covered: – Preparing drug molecules – Preparing polymer structures – Setting up docking in PyRx – Interpreting docking results 👍 Don’t forget to like, share, and subscribe for more tutorials on molecular docking and in silico drug design.