Computational Structural Biology: Methods and Applications by Torsten Schwede, Torsten Schwede, Manuel C. Peitsch

By Torsten Schwede, Torsten Schwede, Manuel C. Peitsch

Computational structural biology has made great development over the past 20 years, and this publication offers a up to date and huge evaluate of such computational tools in structural biology. It covers the effect of computational structural biology on protein constitution prediction tools, macromolecular functionality and protein layout, and key equipment in drug discovery. It additionally addresses the computational demanding situations of experimental techniques in structural biology. as well as reviewing the present country of computational structural biology, every one bankruptcy ends with a quick, visionary dialogue at the destiny outlook, wherein the most demanding situations for the arriving years are elucidated. Written by means of a global panel of professional individuals, this booklet can function a reference handbook for college students and practitioners alike.

Contents: constitution Prediction and evaluation tools: Protein Fold attractiveness and Threading (L J McGuffin); evaluation of Protein constitution Predictions (E Capriotti & M A Marti-Renom); From constitution to operate to layout: Evolution of Protein Folds (A N Lupas & okay ok Koretke); Atomistic Simulations of Reactions and Transition States (M Meuwly); Protein Protein Interactions and Aggregation strategies (R I Dima); Drug Discovery and Pharmacology: MD-Based loose power Simulations (M A Cuendet et al.); Structure-Based Computational ways to Drug Metabolism (M A Lill); New Frontiers in Experimental equipment: New Frontiers in X-ray Crystallography (C U Stirnimann & M G Grütter); New Frontiers in Characterizing constitution and Dynamics by means of NMR (M Nilges et al.); chosen subject matters: Docking for ignored illnesses as group Efforts (M Podvinec et al.); Protein constitution Databases (M John et al.); Molecular photographs in Structural Biology (A M Lesk et al.); and different chapters.

Show description

Read Online or Download Computational Structural Biology: Methods and Applications PDF

Similar developmental biology books

The X in Sex: How the X Chromosome Controls Our Lives

How can we turn into male or lady? The X in intercourse: How the X Chromosome Controls Our Lives, by means of David Bainbridge writes a compelling and stress-free ebook that explains the X and Y Chromosomes having a profound effect on our lives, choosing what intercourse we are going to be and likewise influencing how we are living. Bainbridge takes readers right into a neat over view of the X chromosome, pointing out its significance within the genetic make-up of the individual.

Rise and Fall of Epithelial Phenotype: Concepts of Epithelial-Mesenchymal Transition (Molecular Biology Intelligence Unit)

Epithelial phenotype is a dynamic level of differentiation that may be modulated in the course of a number of physiological or pathological occasions. The speedy conversion to a mesenchymal-like phenotype is termed an epithelial-mesenchymal transition (EMT). the increase and Fall of Epithelial Phenotype is the 1st publication to comprehensively introduce the idea that of EMT.

Sex, Reproduction and Darwinism

This selection of essays appears to be like at sexuality and copy from an evolutionary viewpoint. overlaying experimental discoveries in addition to theoretical investigations, the amount explores the connection among evolution and different parts of human behaviour.

The Cadherin Superfamily: Key Regulators of Animal Development and Physiology

This ebook offers an summary of the complete box of cadherin learn and offers the present uncomplicated notion of cadherins. Cadherins were generally authorized as key regulators of animal improvement and physiological services, and it additionally has turn into transparent that they play crucial roles in quite a few human illnesses.

Additional resources for Computational Structural Biology: Methods and Applications

Example text

Threading became one of the most successful approaches to fold recognition during the 1990s. The popularity of the method meant that “threading” became a generic term to describe carrying out protein fold recognition (such as “googling” has become the generic term used to describe web searching) and was often used to differentiate structure-based methods for tertiary structure prediction from sequence-based methods. Technically speaking, “threading” is a specialized sub-class of fold recognition and it is now beginning to fall out of common usage.

Nucl Acids Res 34(Database Issue): D315–318. 121. Wallner B, Larsson P, Elofsson A. net: protein structure prediction meta server. Nucl Acids Res 35(Web Server Issue): W369–W374. 122. Fox JA, McMillan S, Ouellette BF. (2006) A compilation of molecular biology web servers: 2006 update on the Bioinformatics Links Directory. Nucl Acids Res 34(Web Server Issue): W3–W5. 123. Berman HM, Burley SK, Chiu W, J et al. (2006) Outcome of a workshop on archiving structural models of biological macromolecules.

74. Chen L, Oughtred R, Berman HM, Westbrook J. (2004) TargetDB: a target registration database for structural genomics projects. Bioinformatics 20(16): 2860–2862. 75. Liu J, Hegyi H, Acton TB, et al. (2004) Automatic target selection for structural genomics on eukaryotes. Proteins 56(2): 188–200. 76. Bussow K, Scheich C, Sievert V, et al. (2005) Structural genomics of human proteins — target selection and generation of a public catalogue of expression clones. Microb Cell Fact 4: 21. 77. Vitkup D, Melamud E, Moult J, Sander C.

Download PDF sample

Rated 4.79 of 5 – based on 50 votes