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DFT and DFT ML Hybrid Approaches for Biological Entities Ruby Srivastava
DFT and DFT ML Hybrid Approaches for Biological Entities
Ruby Srivastava
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.
| Mídia | Livros Hardcover Book (Livro com lombada e capa dura) |
| A ser lançado | 5 de fevereiro de 2027 |
| ISBN13 | 9781041306283 |
| Editoras | Taylor & Francis Ltd |
| Páginas | 248 |
| Dimensões | 150 × 220 × 20 mm · 529 g (Peso (estimado)) |
| Idioma | Inglês |