Скачать с ютуб Molecular Docking for Beginners | Autodock Full Tutorial в хорошем качестве

Molecular Docking for Beginners | Autodock Full Tutorial

This tutorial will introduce you to docking using the AutoDock suite of programs. We will use a Graphical User Interface called AutoDockTools, or ADT, that helps a user easily set up the two molecules for docking, launches the external number crunching jobs in AutoDock, and when the dockings are completed also lets the user interactively visualize the docking results in 3D. The molecular docking approach can be used to investigate interaction between a small molecule and a protein at the atomic level, which allow us to understand the behavior of small molecules in the binding site of target proteins, and biochemical mechanism in protein and ligand molecule. Sections: 0:00-2:00 Requirements 2:01-8:45 Theory 8:46-10:40 Installation of MGLTools 10:44-19:37 Protein and Ligand download and cleanup 19:38-28:20 Protein preparation using MGLTools 28:25-34:42 Ligand preparation using MGLTools 34:43-40:23 Grid box settings 40:25- 51:03 Running Autogrid4 51:05-59:25 Docking parameters 59:29-1:08:25 Running AutoDock4 1:08:26-1:29:30 Analyze conformations 1:29:32-1:43:38 Create publication quality figures using ChimeraX 1:34:38-1:37:43 Using Discovery studio for 2D interaction plot 1:40:00-1:43-34 Evaluation and comparison with experimental PDB structure 1:43:39-1:49:39 Inhibition constant Ki AutoDock 4.2.6: https://autodock.scripps.edu/download... MGL tools: https://ccsb.scripps.edu/mgltools/dow... (v.1.5.7) MGLTools 1.5.6 documentation: https://ccsb.scripps.edu/mgltools/1-5-6/ Music Almost in F - Tranquillity by Kevin MacLeod is licensed under a Creative Commons Attribution 4.0 license. https://creativecommons.org/licenses/... Source: http://incompetech.com/music/royalty-... Artist: http://incompetech.com/ #bioinformatics #tutorials #computational biology #molecular informatics #biophysics #molecular docking #beginners tutorial #how to do docking #molecular docking for beginners #UCSF chimera X #Discovery Studio Visualizer #Publication quality images #Using AutoDock 4 with AutoDockTools: A Tutorial #AutoDock 4 Tutorial | Installation to Publication #Using autodock tools for docking