Drug Design
StemSkills Lab > Drug Design
How to Check Drug-Likeness and ADMET of Your Docked Ligands (SwissADME, pkCSM and Lipinski’s Rule of Five)
14
Aug
Learn to run SwissADME and pkCSM on your top docking hits, read the BOILED-Egg, and report Lipinski violations correctly in your thesis.
AutoDock Vina vs AutoDock4: Which Docking Tool Should a Beginner Use?
14
Jul
Compare AutoDock Vina and AutoDock4 on scoring, speed, setup, and accuracy so you pick the right docking engine for your thesis. Read the guide before you start.
How to Make 2D Protein-Ligand Interaction Diagrams (LigPlot+ & PLIP): Step by Step
13
Jul
Turn any AutoDock Vina or PyRx docking pose into a publication-ready 2D interaction diagram with free tools. Follow the LigPlot+ and PLIP workflow now.
Tags: AutoDock Vina , Computational Biology , LigPlot+ , Molecular Docking , PLIP , Protein-Ligand Interactions ,
7 Molecular Docking Project Ideas for Your MSc Thesis (and Your CV)
06
Jul
Pick a scoped, defensible molecular docking project you can finish with free tools and public data. Start building your thesis today.
Tags: AutoDock Vina , Computational Biology , Drug Design , Molecular Docking , MSc Thesis , Virtual Screening ,