Lecture notes on computational structural biology /

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While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy min...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Wu, Zhijun
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Singapore, SG : World Scientific, ©2008.
Temas:
Proteins > Structure > Computer simulation.
Protein folding > Computer simulation.
Proteins > Structure > Mathematical models.
Protein folding > Mathematical models.
Computational biology.
Bioinformatics.
Protéines > Structure > Simulation par ordinateur.
Protéines > Structure > Modèles mathématiques.
Protéines > Repliement > Modèles mathématiques.
Bio-informatique.
SCIENCE > Life Sciences > Biochemistry.
Bioinformatics
Computational biology
Protein folding > Computer simulation
Protein folding > Mathematical models
Proteins > Structure > Computer simulation
Proteins > Structure > Mathematical models
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 1. Introduction. 1.1. Protein structure. 1.2. Structure determination. 1.3. Dynamics simulation. 1.4. The myth of protein folding
  • 2. X-ray crystallography computing. 2.1. The phase problem. 2.2. Least squares solutions. 2.3. Entropy maximization. 2.4. Indirect methods
  • 3. NMR structure determination. 3.1. Nuclear magnetic resonance. 3.2. Distance geometry. 3.3. Distance-based modeling. 3.4. Structural analysis
  • 4. Potential energy minimization. 4.1. Potential energy function. 4.2. Local optimization. 4.3. Global optimization. 4.4. Energy transformation
  • 5. Molecular dynamics simulation. 5.1. Equations of motion. 5.2. Initial-value problem. 5.3. Boundary-value problem. 5.4. Normal mode analysis
  • 6. Knowledge-based protein modeling. 6.1. Sequence/structural alignment. 6.2. Fold recognition/inverse folding. 6.3. Knowledge-based structural refinement. 6.4. Structural computing and beyond.

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