Docking Screens for Drug Discovery /
| Autor Corporativo: | |
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| Otros Autores: | |
| Formato: | eBook |
| Lenguaje: | English |
| Publicado: |
New York, NY :
Springer New York : Imprint: Humana,
2019.
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| Edición: | 1st ed. 2019. |
| Colección: | Methods in Molecular Biology,
2053 |
| Materias: |
Tabla de Contenidos:
- Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity
- Integrating Molecular Docking and Molecular Dynamics Simulations
- How Docking Programs Work
- SAnDReS: A Computational Tool for Docking
- Electrostatic Energy in Protein-Ligand Complexes
- Van der Waals Potential in Protein Complexes
- Hydrogen-Bonds in Protein-Ligand Complexes
- Molecular Dynamics Simulations with NAMD2
- Docking with AutoDock4
- Molegro Virtual Docker for Docking
- Docking with GemDock
- Docking with SwissDock
- Molecular Docking Simulations with ArgusLab
- Web Services for Molecular Docking Simulations
- Homology Modeling of Protein Targets with MODELLER
- Machine Learning to Predict Binding Affinity
- Exploring the Scoring Function Space.