Protein Modelling
Author:   Andrew Gamble ,  Gabor Naray-Szabo (Department of Theoretical Chemistry, Eotvos Lorand University, Budapest, Hungary)
Publisher:   Springer International Publishing AG
Edition:   Softcover reprint of the original 1st ed. 2014
ISBN:  

9783319356532


Pages:   329
Publication Date:   23 August 2016
Format:   Paperback
Availability:   Manufactured on demand   Availability explained
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Protein Modelling


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Author:   Andrew Gamble ,  Gabor Naray-Szabo (Department of Theoretical Chemistry, Eotvos Lorand University, Budapest, Hungary)
Publisher:   Springer International Publishing AG
Imprint:   Springer International Publishing AG
Edition:   Softcover reprint of the original 1st ed. 2014
Weight:   5.772kg
ISBN:  

9783319356532


ISBN 10:   3319356534
Pages:   329
Publication Date:   23 August 2016
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

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.

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Author Information

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.

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