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Protein Modelling
In this volume, a detailed description of cutting-edge computational methods applied to protein modelling as well as specific applications are presented. Chapters include: quantum mechanical calculations on small protein models, the application of Car-Parrinello simulations to enzyme mechanisms, rec...
| Clasificación: | Libro Electrónico |
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| Autor Corporativo: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cham :
Springer International Publishing : Imprint: Springer,
2014.
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| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- Introduction
- Quantum chemical calculations for small protein models
- Car-Parrinello simulations of chemical reactions in proteins
- Strictly localised molecular orbitals in QM/MM methods
- Polarizable force fields for proteins
- Protein electrostatics
- Molecular mechanics/coarse-grained models
- Modelling the Dynamic Architecture of Biomaterials using Continuum Mechanics
- Structure prediction of transmembrane proteins
- Dynamics of small, folded proteins
- Protein Ligand Docking in Drug Discovery
- ADMET prediction based on protein structures
- Index.