List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning
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Updated
Feb 4, 2025
List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning
A machine learning model for the prediction of optimal growth temperature of microorganisms and enzyme catalytic optima
KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
A way to extract specific information from CAZy
Web scraper to retrieve protein data catalogued by the CAZy, UniProt, NCBI, GTDB and PDB websites/databases.
MicrobeRX
Workflow for generate a database of proteins with quantum properties
contains general information about the openTECR database
QM/DMD engine. Protein Hybrid Discrete Dynamics/DFT
Graph Analysis Course Notes
Streamlit App for Node and Graph Classification and Explainability
This repository contains labs and tutorials on Convolutional Graph Networks (GCNs).
A library for parsing out data from the BRENDA database html files
Molecular size calculations for enzyme reaction screening in metal--organic frameworks
contains the actual data for the openTECR database
Enzyme kinetic assays in the Fluidigm Biomark HD instrument
Figure 5 - Learning to read and write in evolution: from static pseudoenzymes and pseudosignalers to dynamic gear shifters
Generalized yields of coupled enzymatic reactions.
Pipeline developed during my MSc thesis: "Detection of Metagenomic Enzyme Variants of Biotechnological and Ecological Interest: The Case of Plastic-Degrading Enzymes"
This website is made to render aid to fellow students whom may be nervous with regards to their Life Science exam .I hope theses notes would serve you well for your upcoming mid year examinations !!! Good luck !!!
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