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Molecular Dynamics of Nanobiostructures
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Editors: Kholmirzo Kholmurodov (Joint Institute for Nuclear Research, Moscow, Russia)
Book Description:
A lot of discoveries in modern science and technology, in particular, recent progress in nanotechnologies, are inseparably linked with the use of computer molecular simulation methods. Today, molecular simulation is one of the basic instruments in exploring the properties of nano- and biostructures. Molecular simulation is a practical tool for the development of new materials and new drugs, as well as for performing large-scale calculations on molecular complexes of hundreds of thousands or multi-million particle systems. In this book, original papers are collected that demonstrate efficient uses of molecular dynamics (MD) simulation for studying nanoscale phenomena in a number of models from material and life sciences. (Imprint: Nova)



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Table of Contents:
Preface pp.i-xix

Molecular Simulations in Material and Biological Research: An Introduction

1. Combined Use of the Synchrotron Radiation and the First- Principles Calculations for the Local Environment Analysis of Dopants pp. 1-24

2. Chromophore Rearrangement in Binding Pocket of Rhodopsin Makes Sense for its Physiological Dark-Adapted State: Computer Molecular Simulation Study pp. 25-42

3. Molecular Dynamics Study of Human Red Blood Cell Membrane pp. 43-62

4. Generalized-Ensemble Simulations in Protein Science pp. 63-84

5. Lateral Heterogeneity as an Intrinsic Property of Hydrated Lipid Bilayers: A Molecular Dynamics Study pp. 85-102

6. Large Modeling the Cholesteric Phase of the DNA pp. 103-114

7. Ab Initio Molecular Dynamics Study of Disordered Materials pp. 115-130

8. Mechanic and Electric Properties of Graphene Ribbon-Carbon Nanotube Nanostructures pp. 131-150

9. Modeling Structure of the Light Harvesting Complex LH1 from the Bacterial Photosynthetic Center of Thermochromatium tepidum pp. 151-162

10. Molecular Dynamics Simulation of Water Adsorbed on Ice Nucleation Protein pp. 163-178

11. MD Simulations on the Structure of Onco-Proteins P53: Wild-Type and Radioresistant Mutant Systems pp. 179-208


Index pp. 209-210

   Series:
      Nanotechnology Science and Technology
   Binding: Hardcover
   Pub. Date: 2013- January
   Pages: 229, 6 x 9 (NBC - C)
   ISBN: 978-1-61324-320-6
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
AV Available
  
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Molecular Dynamics of Nanobiostructures