Molecular Modeling of Proteins
| Autor Corporativo: | |
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| Otros Autores: | |
| Formato: | eBook |
| Lenguaje: | English |
| Publicado: |
Totowa, NJ :
Humana Press : Imprint: Humana,
2008.
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| Edición: | 1st ed. 2008. |
| Colección: | Methods in Molecular Biology,
443 |
| Materias: | |
| Acceso en línea: | https://doi.org/10.1007/978-1-59745-177-2 |
Tabla de Contenidos:
- Methodology
- Molecular Dynamics Simulations
- Monte Carlo Simulations
- Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes
- Comparison of Protein Force Fields for Molecular Dynamics Simulations
- Normal Modes and Essential Dynamics
- Free Energy Calculations
- Calculation of Absolute Protein-Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method
- Free Energy Calculations Applied to Membrane Proteins
- Molecular Modeling of Membrane Proteins
- Molecular Dynamics Simulations of Membrane Proteins
- Membrane-Associated Proteins and Peptides
- Implicit Membrane Models for Membrane Protein Simulation
- Protein Structure Determination
- Comparative Modeling of Proteins
- Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints
- Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes
- Conformational Change
- Conformational Changes in Protein Function
- Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations
- Modeling of Protein Misfolding in Disease
- Applications to Drug Design
- Identifying Putative Drug Targets and Potential Drug Leads
- Receptor Flexibility for Large-Scale In Silico Ligand Screens
- Molecular Docking.