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{
"item_title" : "DFT and DFT ML Hybrid Approaches for Biological Entities",
"item_author" : [" Ruby Srivastava", "Ambrish Kumar Srivastava "],
"item_description" : "This book explores the integration of DFT, MD simulations, and hydrogen-bonding analyses in biologically relevant systems, while highlighting the principles, advantages, limitations, and emerging applications of DFT-ML with XAI-MD approaches in biomolecular research and the rational design of metalloenzymes as advanced biocatalysts.
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DFT and DFT ML Hybrid Approaches for Biological Entities
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Overview
This book explores the integration of DFT, MD simulations, and hydrogen-bonding analyses in biologically relevant systems, while highlighting the principles, advantages, limitations, and emerging applications of DFT-ML with XAI-MD approaches in biomolecular research and the rational design of metalloenzymes as advanced biocatalysts.
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Details
- ISBN-13: 9781041306283
- ISBN-10: 1041306288
- Publisher: CRC Press
- Publish Date: February 2027
- Page Count: 248
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