#llbtools #protocol #bioinformatics
Please vist the link for a super-easy tutorial for Modeller software-protein modelling for beginners using Jupyter notebook without any coding/scripting or command-line.
https://zenodo.org/record/4294751
Please click on GitHub to download the notebook
@letslearnbioinformatics
Please vist the link for a super-easy tutorial for Modeller software-protein modelling for beginners using Jupyter notebook without any coding/scripting or command-line.
https://zenodo.org/record/4294751
Please click on GitHub to download the notebook
@letslearnbioinformatics
Zenodo
Jupyter Notebook for Protein Modelling using MODELLER
Running Modeller for Protein Modelling using Python and Jupyter Notebooks Whoever finds, command-line is difficult to start, make use of these notebooks to start exploring. Kindly cite this notebook in your publications if you use it for calculations. Please…
#ml #qsar #protocol
To all ML enthusiast
Applying machine learning in QSAR using 3 different platforms
https://youtu.be/R7FYypCUasc?t=2411
@letslearnbioinformatics
To all ML enthusiast
Applying machine learning in QSAR using 3 different platforms
https://youtu.be/R7FYypCUasc?t=2411
@letslearnbioinformatics
YouTube
Machine Learning ML in Drug Discovery 1/3
#python #qsar #machinelearning #knime #orange
Quick demo on KNIME, Orange and Python based QSAR modelling.
Codes and Workflows are at GitHub: https://github.com/giribio
Slides are at Slideshare : https://slideshare.net/giribio
Quick demo on KNIME, Orange and Python based QSAR modelling.
Codes and Workflows are at GitHub: https://github.com/giribio
Slides are at Slideshare : https://slideshare.net/giribio
#llbtools #external #protocol #bioinformatics
Protein - Ligand Complex with Binding Free Energy Calculations
Video link
Part 1 of Molecular Dynamics using NAMD https://www.youtube.com/watch?v=fv42mxfnHpM
Stay tuned for 4 more sessions which is schedule to be live soon
@letslearnbioinformatics
Protein - Ligand Complex with Binding Free Energy Calculations
Video link
Part 1 of Molecular Dynamics using NAMD https://www.youtube.com/watch?v=fv42mxfnHpM
Stay tuned for 4 more sessions which is schedule to be live soon
@letslearnbioinformatics
YouTube
NAMD Tutorial 1 - Protein Ligand Complex MD Part 1/5
#vmd #namd #md #protein #BFEE
VMD Scripts, representations, installation
Detailed tutorial series on Protein - Ligand and Protein - Protein Molecular Dynamics simulation.
NAMD config/parameter/ff files : https://github.com/giribio/MDNotebooks/tree/master/namd…
VMD Scripts, representations, installation
Detailed tutorial series on Protein - Ligand and Protein - Protein Molecular Dynamics simulation.
NAMD config/parameter/ff files : https://github.com/giribio/MDNotebooks/tree/master/namd…
#external #protocol #bioinformatics #proteinstructure
Protein Ligand Complex MD Simulations using NAMD and VMD
Part 1
Intro to VMD
https://youtu.be/fv42mxfnHpM
Part 2
Generation of psf, parameter files and solvation
https://youtu.be/IET_FvCk9XE
Upcoming sessions
Part 3
Run minimisation and MD
Part 4
Preparation and run calculations for binding free energy
Part 5
Result analysis
@letslearnbioinformatics
Protein Ligand Complex MD Simulations using NAMD and VMD
Part 1
Intro to VMD
https://youtu.be/fv42mxfnHpM
Part 2
Generation of psf, parameter files and solvation
https://youtu.be/IET_FvCk9XE
Upcoming sessions
Part 3
Run minimisation and MD
Part 4
Preparation and run calculations for binding free energy
Part 5
Result analysis
@letslearnbioinformatics
YouTube
NAMD Tutorial 1 - Protein Ligand Complex MD Part 1/5
#vmd #namd #md #protein #BFEE
VMD Scripts, representations, installation
Detailed tutorial series on Protein - Ligand and Protein - Protein Molecular Dynamics simulation.
NAMD config/parameter/ff files : https://github.com/giribio/MDNotebooks/tree/master/namd…
VMD Scripts, representations, installation
Detailed tutorial series on Protein - Ligand and Protein - Protein Molecular Dynamics simulation.
NAMD config/parameter/ff files : https://github.com/giribio/MDNotebooks/tree/master/namd…
#loopsnstrands #protocol #alphafold #structureprediction #structurebioinformatics
Article by our previous NyBerMan Bioinformatics Internship Student on
Protein structure prediction using AlphaFold2 Pipeline (Jupyter-Notebook)
✍️Preview:
Deep learning tools have a considerable impact on protein structure prediction. Algorithms like AlphaFold2 can help understand and visualise protein structures not presented in Protein Data Bank. Also, this acceptable method allows generating tons of new data with relatively small costs. Cloud Computing services such as Microsoft Azure Machine Learning make experiment submission much easier and faster. In a couple of words, these services provide researchers with a powerful tool for implementing very complicated tasks like protein structure prediction. In summary, my experiment gave satisfactory results for a full-fledged pipeline of my internship. This work can be used in similar further research and development.
Author:
@gr0mdim0n
https://loopsnstrands.com/protein-structure-prediction-using-alphafold2-ea2b7949d96e
👥Follow our Bio-IT Magazine
https://loopsnstrands.com/
Article by our previous NyBerMan Bioinformatics Internship Student on
Protein structure prediction using AlphaFold2 Pipeline (Jupyter-Notebook)
✍️Preview:
Deep learning tools have a considerable impact on protein structure prediction. Algorithms like AlphaFold2 can help understand and visualise protein structures not presented in Protein Data Bank. Also, this acceptable method allows generating tons of new data with relatively small costs. Cloud Computing services such as Microsoft Azure Machine Learning make experiment submission much easier and faster. In a couple of words, these services provide researchers with a powerful tool for implementing very complicated tasks like protein structure prediction. In summary, my experiment gave satisfactory results for a full-fledged pipeline of my internship. This work can be used in similar further research and development.
Author:
https://loopsnstrands.com/protein-structure-prediction-using-alphafold2-ea2b7949d96e
👥Follow our Bio-IT Magazine
https://loopsnstrands.com/
Medium
Protein structure prediction using AlphaFold2
This little near-sci-tech article is about implementation of deep-learning tool in protein structure prediction.
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