Computational structural biology : methods and applications /

This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as th...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Schwede, Torsten, Peitsch, Manuel C.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: SG : World Scientific, ©2008.
Temas:
Proteins > Structure > Computer simulation.
Protein folding > Computer simulation.
Proteins > Structure > Mathematical models.
Protein folding > Mathematical models.
Computational biology.
Bioinformatics.
Proteins > Conformation.
Drugs > Design.
RNA.
Computational Biology > methods
Protein Conformation
Computational Biology
Drug Design
Nucleic Acid Conformation
Protein Folding
RNA
Protéines > Structure > Simulation par ordinateur.
Protéines > Structure > Modèles mathématiques.
Protéines > Repliement > Modèles mathématiques.
Bio-informatique.
Protéines > Conformation.
Médicaments > Conception.
Acides nucléiques > Conformation.
ARN.
SCIENCE > Life Sciences > Biochemistry.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Section I. Structure prediction and assessment methods. ch. 1. Protein structure modeling / T Schwede [and others]. ch. 2. Protein fold recognition and threading / L.J. McGuffin. ch. 3. Scoring functions for protein structure prediction / Francisco Melo and Ernest Feytmans. ch. 4. Assessment of protein structure predictions / E. Capriotti and M.A. Marti-Renom. ch. 5. The biological applications of protein models / A. Tramontano
  • Section II. From structure to function to design. ch. 6. Evolution of protein folds / A.N. Lupas and K.K. Koretke. ch. 7. Classification of protein structures / A. Cuff, O. Redfern and C. Orengo. ch. 8. Methods to characterize the structure of enzyme binding sites / A. Kahraman and J.M. Thornton. ch. 9. Atomistic simulations of reactions and transition states / M. Meuwly. ch. 10. Functional motions in biomolecules: insights from computational studies at multiple scales / A.W. van Wynsberghe [and others]. ch. 11. Protein-protein interactions and aggregation processes / R.I. Dima. ch. 12. Modeling and simulation of ion channels / S. Bernèche and B. Roux. ch. 13. Milestones in molecular dynamics simulations of RNA systems / Y. Hashem, E. Westhof and P. Auffinger. ch. 14. Computational protein design / J.G. Saven. ch. 15. Prediction and identification of B cell epitopes using protein sequence and structure information / P. Andersen, D. Mkhailov and O. Lund. ch. 16. Computational antibody engineering / T.K. Nevanen, N. Munck and U. Lamminmäki
  • Section III. Drug discovery and pharmacology. ch. 17. Small molecule docking / R.A. Friesner, M. Repasky and R. Farid. ch. 18. Structure-based pharmacophores and screening / R. Lewis and R.G. Karki. ch. 19. Molecular dynamics-based free energy simulations / M.A. Cuendet, V. Zoete and O. Michielin. ch. 20. Structure-based computational pharmacology and toxicology / Angelo Vedani and Martin Smiesko. ch. 21. Structure-based computational approaches to drug metabolism / M.A. Lill
  • section IV. New frontiers in experimental methods. ch. 22. New frontiers in X-ray crystallography / C.U. Stirnimann and M.G. Grütter. ch. 23. New frontiers in high-resolution electron microscopy / A. Engel. ch. 24. New frontiers in characterizing structure and dynamics by NMR / M. Nilges [and others]
  • section V. Selected topics. ch. 25. Docking for neglected diseases as community efforts / M. Podvinec, T. Schwede and M.C. Peitsch. ch. 26. Protein structure databases / D. Dimitropoulos [and others]. ch. 27. Molecular graphics in structural biology / A.M. Lesk, H.J. Bernstein and F.C. Bernstein.

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