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Molecular Modeling and Dynamics of Bioinorganic Systems: 3 (Closed)) (NATO Science Partnership Subseries: 3, Band 41) - Softcover

 
9789401061742: Molecular Modeling and Dynamics of Bioinorganic Systems: 3 (Closed)) (NATO Science Partnership Subseries: 3, Band 41)
Softcover
ISBN 10: 9401061742 ISBN 13: 9789401061742
Verlag: Springer, 2012

Inhaltsangabe

A unique selection of papers on the most recent progress in the modelling of biological molecules containing metal ions.
New approaches and techniques in this field are allowing researchers to discuss structures, electronic properties and reaction mechanisms of metalloproteins on the basis of computational studies. The book discusses different approaches in the development of new force fields and their application to the computation of the structures, electronic properties and dynamics of bioinorganic compounds as well as quantum mechanical and integrated QM/MM methods for understanding the function of metalloenzymes and the calculation of electrostatic interactions.

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A unique selection of papers on the most recent progress in the modelling of biological molecules containing metal ions. New approaches and techniques in this field are allowing researchers to discuss structures, electronic properties and reaction mechanisms of metalloproteins on the basis of computational studies. The book discusses different approaches in the development of new force fields and their application to the computation of the structures, electronic properties and dynamics of bioinorganic compounds as well as quantum mechanical and integrated QM/MM methods for understanding the function of metalloenzymes and the calculation of electrostatic interactions.

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Verlag
Springer
Erscheinungsdatum
2012
Sprache
Englisch
ISBN 10 
9401061742
ISBN 13 
9789401061742
Einband
Taschenbuch
Anzahl der Seiten
483
Herausgeber
Banci Lucia, Comba Peter
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