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Molecular Dynamics

Editat de Daniel E. Garcia, Paige J. Green
en Limba Engleză Paperback – 12 sep 2012
Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. This book presents current research on the theory, kinetics and implementation of molecular dynamics. Topics discussed in this compilation include the molecular dynamics of proteins; molecular dynamics simulations on the extraction of fluid transport properties at the nanoscale; investigation of structural properties of drug-metabolising enzymes using molecular dynamics simulation; double-pulse laser control of ultrafast optical Kerr effect in liquid; ZnO nano-structures for biosensing; and molecular dynamics simulations of liquid and ionic solvation of carbon tetrachloride.
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Specificații

ISBN-13: 9781620815458
ISBN-10: 1620815451
Pagini: 126
Ilustrații: Illustrations
Dimensiuni: 156 x 229 x 8 mm
Greutate: 0.21 kg
Editura: Nova Science Publishers Inc

Cuprins

Preface; Molecular Dynamics of Proteins: Towards Function Identification via Stability; Molecular Dynamics Simulations on the Extraction of Fluid Transport Properties at the Nanoscale; Investigation of Structural Properties of Drug-Metabolizing Enzymes using Molecular Dynamics Simulation; Double-Pulse Laser Control of Ultrafast Optical Kerr Effect in Liquid; ZnO Nano-Structures for Biosensing Applications: Molecular Dynamics Simulations; Molecular Dynamics Simulations of Liquid & Ionic Solvation of Carbon Tetrachloride: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics (ABEEM/MM); Index.