Protein Modelling
Autor Andrew Gambleen Limba Engleză Hardback – 27 noi 2014
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Specificații
ISBN-13: 9783319099750
ISBN-10: 3319099752
Pagini: 300
Ilustrații: VIII, 329 p. 117 illus., 78 illus. in color.
Dimensiuni: 155 x 235 x 20 mm
Greutate: 0.82 kg
Ediția:2014
Editura: Springer International Publishing
Colecția Springer
Locul publicării:Cham, Switzerland
ISBN-10: 3319099752
Pagini: 300
Ilustrații: VIII, 329 p. 117 illus., 78 illus. in color.
Dimensiuni: 155 x 235 x 20 mm
Greutate: 0.82 kg
Ediția:2014
Editura: Springer International Publishing
Colecția Springer
Locul publicării:Cham, Switzerland
Public țintă
ResearchCuprins
Introduction.- Quantum chemical calculations for small protein models.- Car-Parrinello simulations of chemical reactions in proteins.- Strictly localised molecular orbitals in QM/MM methods.- Polarizable force fields for proteins.- Protein electrostatics.- Molecular mechanics/coarse-grained models.- Modelling the Dynamic Architecture of Biomaterials using Continuum Mechanics.- Structure prediction of transmembrane proteins.- Dynamics of small, folded proteins.- Protein Ligand Docking in Drug Discovery.- ADMET prediction based on protein structures.- Index.
Notă biografică
Hungarian chemist, professor, member of the Hungarian Academy of Sciences, from 1996 to 1999, Deputy Secretary General. The theoretical chemistry and structural biology renowned researcher. Between 2006 and 2013, was the Director General of the Academy Library.
Textul de pe ultima copertă
In this volume, a detailed description of cutting-edge computational methods applied to protein modelling as well as specific applications are presented. Chapters include: quantum mechanical calculations on small protein models, the application of Car-Parrinello simulations to enzyme mechanisms, recent development of QM/MM methods, polarizable force fields, protein electrostatics, coarse-grained models, structure prediction of transmembrane proteins, molecular dynamics related to NMR spectroscopy, ligand docking, finite element methods for proteins as well as absorption-distribution-metabolism-excretion-toxicity prediction based on protein structures. An emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight into up-to-date protein modelling. A large number of descriptive, colour figures will allow the reader to get a pictorial representation of complicated structural issues.
Caracteristici
Recent developments in the field honored by the 2013 Nobel Prize in Chemistry Edited by an academic of international distinction Complex concepts explained via numerous figures Includes a recent literature review Includes supplementary material: sn.pub/extras