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Virtual Drug Design Simulations
India
เข้าร่วมเมื่อ 23 ต.ค. 2023
The aim of this channel is to share and exchange the knowledge of bioinformatics, particularly in the field of computational drug discovery.
Tutorial 15: How to Create Cool Videos from MD Simulations?
In this tutorial, learn how to create a stunning video of MD simulations using GROMACS trajectory data. We’ll walk you through the steps to visualize and enhance your simulations with Visual Molecular Dynamics (VMD) and Videomach software. Perfect for presenting complex molecular dynamics in an engaging way! Watch now to get started.
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Tutorial 14: SWISS DOCK- Web server for molecular docking
มุมมอง 9828 วันที่ผ่านมา
SwissDock is a user-friendly molecular docking server accessible on smartphones. It requires no prior experience, making it ideal for beginners. Easily predict protein-ligand interactions with a simple interface. Perfect for researchers and students looking for a hassle-free docking solution on the go!
Tutorial 13: The concept of redocking explained
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In this comprehensive TH-cam tutorial, we delve into the intricate process of redocking of co-crystallized ligands to evaluate protein suitability and docking parameters. Whether you're a novice or an expert in molecular docking, this guide will equip you with the skills needed to ensure accurate results in your research or drug discovery projects. We'll walk you through selecting the appropria...
Tutorial 12: Virtual Screening with Molegro Virtual Docker (MVD)
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In this tutorial, we'll guide you through harnessing the power of Molegro Virtual Docker's intuitive interface and lightning-fast docking algorithms. With its user-friendly design, even beginners can effortlessly navigate the complex world of molecular modeling. Under the hood, MOE-Virtual Docker employs advanced algorithms such as the robust differential evolution algorithm and the innovative ...
Tutorial 11: Generation of publication quality images using Biovia Discovery Studio Visualizer
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Learn how to create publication-quality images and explore molecular interactions with Biovia Discovery Studio Visualizer! This tutorial guides you through generating high-resolution graphics for scientific publications. Discover how to manipulate protein structures, visualize ligand binding sites, and analyze complex molecular assemblies. Explore advanced features like molecular docking and dy...
Tutorial 10: Multiple ligand docking using PyRx
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Discover the power of virtual screening with PyRx! In this insightful video, we delve into nultiple ligand docking using autodock vina in PyRx interface, a user-friendly software for computational drug discovery. Learn how to set up virtual screening experiments, analyze results, and identify potential drug candidates efficiently. Whether you're a student, researcher, or pharmaceutical professi...
Tutorial 9: Root Mean Square Deviation explained
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Dive into the heart of computational studies with our latest TH-cam video on RMSD (Root Mean Square Deviation). Responding to numerous inquiries from the online community, this video explores the significance of RMSD in various scientific applications. Uncover the role of RMSD in computational drug discovery as it meticulously calculates the average distance between superimposed molecules. Whet...
Tutorial 8: Molecular Docking using Autodock Vina
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Discover the power of AutoDock Vina with our concise TH-cam tutorial. Effortlessly install the software, process protein and ligand structures, and execute docking via the command line. We simplify result analysis for optimal understanding. Perfect for beginners and seasoned users, this guide ensures you master molecular docking swiftly. Subscribe for a quick dive into AutoDock Vina's capabilit...
Tutorial 7: Molecular Docking using Autodock 4
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Welcome, everyone, to the Virtual Drug Design Simulation tutorial. In this video, I guide you through the process of downloading, installing, and operating AutoDock 4, a premier molecular docking software. By the end of this tutorial, you'll have the skills to smoothly run AutoDock. Make sure to watch till the end for a comprehensive understanding. If you find this tutorial helpful, don't forge...
Tutorial 6: Basic concept of Molecular Docking
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Molecular docking is a crucial technique in computational biology that simulates the interaction between two molecules, typically a protein and a small drug-like molecule. This method plays a pivotal role in drug discovery and development by predicting the binding affinity and orientation of these molecules. In this TH-cam tutorial, we'll explore the basic concepts of molecular docking. At its ...
Tutorial 5 : Understanding PDB format and structure conversion using Open Babel
มุมมอง 7639 หลายเดือนก่อน
Join us as we explore the art of understanding chemical compound 3D structures and the seamless conversion process using Open Babel. In this video, we break down the complexities of chemical structure formats, offering a comprehensive guide for beginners and seasoned researchers alike. Discover the magic behind Open Babel, a powerful tool designed to effortlessly convert molecular structures be...
Turorial 4: Chemical compound database #PubChem #ChemSpider, #ChEMBL # ZINC #IMPPAT #DrugBank.
มุมมอง 84211 หลายเดือนก่อน
Welcome to our TH-cam tutorial on chemical compound databases! In the world of chemistry and science, access to comprehensive and well-organized chemical compound information is invaluable. Whether you're a student, researcher, or simply curious about the molecules that make up our world, this tutorial is your gateway to understanding the power of chemical compound databases, including renowned...
Tutorial 3: How to download the appropriate protein structure from Protein Data Bank
มุมมอง 1.4K11 หลายเดือนก่อน
Protein Data Bank II 3D structure II Missing residues II PHAROS database Unlock the secrets of protein structures with our comprehensive TH-cam tutorial! In this step-by-step guide, you'll learn how to navigate the Protein Data Bank (PDB) and PHAROS database to select and download protein structures based on factors like mutations, missing residues, and resolution. Whether you're a student, res...
Tutorial 2 - Understanding the Protein Structure
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Tutorial 2 - Understanding the Protein Structure
Tutorial 1 : A beginner's guide to in-silico drug discovery
มุมมอง 3.4K11 หลายเดือนก่อน
Tutorial 1 : A beginner's guide to in-silico drug discovery
Thanks a lot!!
Excellent content. Could you create a tutorial to make these videos?
Very nice video. Thank you for sharing this video. please can you make a video on molecular dynamics simulation by using Discovery Studio, sir.
Sir,, plz make video on pharmacophore model for drug. Thanks sir
Next tutorial will be on pharmacophore modelling.
I have a question I want to do the docking of two drug molecules but this interaction of this complex reproduce toxicity in patient so in this case I can do the docking or not knowing that I need this study only for studied H-bond also I need this program can you sent me by email and I have an pc computer i5 8 go can I use this program without any problem or damage ?
The aim of your study is not clear.. please elaborate and please specify which program you are referring to..
Thank you for this video it was helpful. please how can i convert several structures in smiles format in a text file to a single .smi or sdf format
Please create a video on metal ion docking step by step thank you sir
Good afternoon sir how to dock a metal ion with a protein
Very comprehensive video. Can you please make a tutorial about quandlelabs website
This is the most basic and explanatory video for beginners whowant to get a feel of the process and understand how things are made. Thank you
How can i from complex using protein.pdbqt and ligand_out.pdbqt where the distances and amino acid profile will be shown that i can put for publication?..
Watch tutorial number 11...
Sir, can you make video on how to run hole2 programme for protein pore calculation
Kindly make a video on QSAR analysis and ADMET analysis
Sure
You got your new subscriber ☺️
Brilliant 👍
Thank you so much sir. You just solved my challenge on docking. My best video on docking so far
Can anyone download it? I'm an M Pharm student, and they are asking company and industry in the form.. Pls reply Sir.
You can write any...write your institution name. It's only formality...but try to use official mail id instead of personal mail ID
@@SanjayPaul-ep4xg Ok.. Yeah.. I did personal mail.. but that is like my professional mail...
@@SanjayPaul-ep4xg One more qs, can I do interactive pharmacophore generation from this Visualiser software? The option isn't there.. Is it only for paid version? Pls reply Sir.
It's brilliant. Good luck.
Vina command code: vina.exe --config configuration.txt --log log.txt
Yes, correct
receptor = .pdbqt ligand = .pdbqt out = out.pdbqt center_x = center_y = center_z = size_x = size_y = size_z = exhaustiveness = 8
By far the best docking video on youtube for beginners
Thanks a lot dear brother Can you please explain dock using MOE?
Hi thank you for the informative videos about in-silico models that you have uploaded previously. I am looking forward to molecular dynamics simulation tutorial with your comprehensive explanations as I am struggling on understanding the principles and how to run it. Hopefully you can provide an insightful video on it as soon as possible!
i wanted more info about drug disc where can i contact you?
Join my Facebook group facebook.com/groups/1143014110269274/?ref=share
Can you please make a video how to dock a peptide instead of ligands
Nice
Nice
Very good explanation. Thanks
How to download whole database of imppat please reply
Best RMSD explanation for beginners
nice explanation sir, please make video on molecular dynmic simulation
Nice explanation sir, please make video on molecular dynmic simulation
Sure I will
I cannot download the Vina application to my computer. can you help me?
WhatsApp me..9635806667
How to dock a ligand containing Boron atom or any other atom that is not defined within the autodock/vina software tool????
I will try
@@SanjayPaul-ep4xg okay do let me know the procedure to so.
Wow dada, keep going
Wow
nice
Please sir explain RMSD...
🎉
Thank you so much sir❤
🎉
👍👍👍
Keep continue 🫶🏻🫶🏻
Keep continue 👏🏻👏🏻
❤
Great