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Complete Docking Process Using Free Open-Source Programs
Published 10/2022
MP4 | Video: h264, 1280x720 | Audio: AAC, 44.1 KHz
Language: English | Size: 187.97 MB | Duration: 0h 27m

complete practical sessions on docking and drug design using free open-source programs AUTODOCK AND PyRx programs​

What you'll learn
ligand preparation and manipulation
receptor extraction and preparation
how to download PyRx program
how to use PyRx program
how to do docking professionally
docking results interpretation and analysis
ligand-receptor visualization using PyMOL
how to download the programs
how to use autodock in drug design process
Requirements
the course is from A to Z, only have your drug design basics and enjoy docking
Description
there are many programs that designed for docking, if you want an free-open-source and simple program, perform the docking with autodock and PyRx vina wizard program.iam using it for many years for my research and publications, because it is the easier and perfect program i have ever seen.in this course you will do ligand-receptor docking completely first, how to draw the ligands perfectly and how to form usable ligand library using chemdraw and chemsketch programs.second, how to extract the receptor from Protein Data Bank PDB and manipulate it professionally.third, how to use autodock and PyRx program for the docking process.how to upload the ligands and receptors.how to minimize the energy of the ligands.how to perform the docking process with zero-error results.how to convert the results into excel sheet for analysis and interpretation.how to visualize the results and see the ligand-receptor complex and the binding sites and bonds using PyMOL program.simply follow my steps carefully to get the binding affinity results.you can compare between many ligands on one receptor to choose the best ligand that highly bound and more fit.you will get a certification of completion by the end of the course.join my course now and enjoy docking process.
Overview
Section 1: Introduction and main objectives of the course
Lecture 1 Introduction and main objectives of the course
Section 2: how to download the needed programs
Lecture 2 how to download the drawing program CHEMSKETCH
Lecture 3 how to download PyRx program
Section 3: ligand preparation
Lecture 4 Practical session on how to draw the ligand and in which format will be saved?
Section 4: receptor preparation
Lecture 5 how to extract and download the receptor fron PDB
Section 5: Docking using PyRx program
Lecture 6 complete docking process from A to Z
Section 6: complete summary of process starting from drawing ligand into getting results.
Lecture 7 complete summary of process starting from drawing ligand into getting results.
beginners to professionals

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