Protein modelling

Bibliographic Information

Protein modelling

Gábor Náray-Szabó, editor

Springer, c2014

Search this Book/Journal

Note

Includes bibliographical references and index

Description and Table of Contents

Description

In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.

Table of Contents

Introduction: models for calculations.- Quantum chemical calculations for small protein models.- Car-Parrinello simulations.- QM/MM methods.- Polarizable force fields for proteins.- Protein electrostatics.- Structure prediction of transmembrane proteins.- Protein dynamics for NMR spectroscopy.- Docking of small molecules.- Protein-protein interactions.- ADMET prediction based on protein structures.- Computational enzyme design.- Index.

by "Nielsen BookData"

Details

  • NCID
    BB20657075
  • ISBN
    • 9783319099750
  • Country Code
    sz
  • Title Language Code
    eng
  • Text Language Code
    eng
  • Place of Publication
    Cham
  • Pages/Volumes
    viii, 329 p.
  • Size
    25 cm
Page Top