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Computational structural biology : methods and applications

Author: Torsten Schwede; Manuel C Peitsch
Publisher: SG : World Scientific, ©2008.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
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 the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension,  Read more...
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Genre/Form: Electronic books
methods
Additional Physical Format: Print version:
Computational structural biology.
SG : World Scientific, ©2008
(DLC) 2008001880
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Torsten Schwede; Manuel C Peitsch
ISBN: 9812778780 9789812778789
OCLC Number: 316004177
Description: 1 online resource (x, 779 pages) : illustrations (some color)
Contents: 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.
Responsibility: [edited by] Torsten Schwede, Manuel Peitsch.

Abstract:

Provides an overview of computational methods in structural biology. This work covers the impact of computational structural biology on protein structure prediction methods, macromolecular function  Read more...

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