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Computational Materials and Biological Sciences
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Editors: Kholmirzo T. Kholmurodov (Leading Scientist, Frank Laboratory of Neutron Physics, Joint Institute of Nuclear Research, Dubna, Moscow Region, Russia)
Book Description:
In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanoscale phenomena in the materials and life sciences. This book discusses modern molecular simulation methods for the study of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues. This book contains the Proceedings of the MSSMBS-2014 and DSCMBS-2014 International Workshops which have been organized by the Joint Institute for Nuclear Research, the Institute of Bioorganic Chemistry of the Russian Academy of Sciences and S.U. Umarov Physical-Technical Institute of the Academy of Sciences of the Republic of Tajikistan. The research topics discussed in the MSSMBS’14 & DSCMBS’14 International Workshops are as follows: computer molecular simulation methods and approaches; molecular dynamics and Monte-Carlo techniques; modeling of biological molecules; physical and biochemical systems; material fabrication and design; drug design in medicine; computational and computing physics, chemistry, biology and medicine; GPU accelerated molecular dynamics and related techniques. (Imprint: Nova)

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Table of Contents:
pp. vii-xi

Chapter 1
Lubrication Mechanism in Joints—Role of Biopolymers
(Mitsuhiro Matsumoto, Mitsuho Ide, Department of Mechanical Engineering and Science, Graduate School of Engineering, Kyoto University, Kyoto, Japan, and others)
pp. 1-10

Chapter 2
Using the Molecular Dynamics Simulation and Neutron Scattering Methods to Study Structural and Functional Properties of Biological Macromolecules
(Alexey Shvetsov, Dmitry Lebedev, Vladimir Isaev-Ivanov, FSBI ”Petersburg Nuclear Physics Institute”, NRC ”Kurchatov Institute”, Gatchina, Russia, and other)
pp. 11-23

Chapter 3
Oleic Acid in Benzene and Decalin Solutions: Solvation Shell Effect on Small-Angle Neutron Scattering
(Roman A. Eremin, Kholmirzo T. Kholmurodov, Viktor I. Petrenko and
Mikhail V. Avdeev, Joint Institute for Nuclear Research, Dubna, Moscow Region, Russia, and other)
pp. 25-34

Chapter 4
Coherent Control of Ultrafast Reversible Photoreaction of Rhodopsin
(Olga Smitienko, Victor Nadtochenko, Tatiana Feldman, Maria Balatskaya, Ivan Shelaev, Fedor Gostev, Oleg Sarkisov, and Mikhail Ostrovsky, Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia, and others)
pp. 35-44

Chapter 5
Mechanism of Interaction of Macromolecules with Surfactant Micelles in Aqueous Solution: A Molecular Dynamic Simulation
(Aram A. Shahinyan, Levon H. Arsenyan, Armen H. Poghosyan, International Scientific-Educational Center, National Academy of Sciences, Yerevan, Republic of Armenia)
pp. 45-51

Chapter 6
Quadrupole Excitation in Spin Tunneling in Magnetic Nano-Particles
(Khikmat Kh. Muminov, Yousef Yousefi, Physical-Technical Institute named after S.U.Umarov, Academy of Sciences of Republic of Tajikistan, Dushanbe, Tajikistan)
pp. 53-62

Chapter 7
A Simulation Study on Conformations of an Anti-Microbial Peptid
(Takao Yoda, Toshiyuki Tsuji, Department of Computer Bioscience,
Nagahama Institute of Bio-Science and Technology, Tamura, Nagahama,
Shiga, Japan, and other)
pp. 63-71

Chapter 8
Mathematical Modeling of the Efficiency Gadolinium Based Neutron Converters
(Djamshed A. Abdushukurov, Physical-Technical Institute named after S.U.Umarov, Academy of Sciences of Republic of Tajikistan, Dushanbe, Tajikistan)
pp. 73-81

Chapter 9
Atomistic Basis for Unique Physical Properties of Archaeal–Like Membranes (Discovered by Computer Simulations)
(Anton O. Chugunov, Pavel E. Volynsky, Nicolay A. Krylov, Ivan A. Boldyrev and Roman G. Efremov, M.M. Shemyakin and Yu. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia)
pp. 83-96

Chapter 10
The Structural Behavior of the DNA and CPD in the Repairing Molecular System
(Ermuhammad B. Dushanov, Kholmirzo T. Kholmurodov, Laboratory of Radiation Biology, Joint Institute for Nuclear Research, Dubna, Moscow Region, Russia, and others)
pp. 97-108

Chapter 11
Local Environment Analysis of Magnetic Elements in Functional Materials by X-Ray Absorption Near-Edge Structure Measurements and First-Principles Calculations
(Tomoyuki Yamamoto, Kazuma Nishimura, and Tsuyoshi Yoshioka, Faculty of Science and Engineering, Waseda University, Shinjuku, Tokyo, Japan, and other)
pp. 109-121

Chapter 12
The Small Nucleotide Chain and Gold Nanoparticles Interaction inside Carbon Nanotube: Molecular Dynamics Study
(Mirzoziz A. Khusenov, Ermuhammad B. Dushanov, Kholmirzo T. Kholmurodov, Tajik Technical University named after M.S. Osimi, Dushanbe, Republic of Tajikistan, and others)

Chapter 13
Lipid Environment Promotes Dimerization of Transmembrane Helices
(Andrey S. Kuznetsov, Anton A. Polyansky, Pavel E. Volynsky, Roman G. Efremov, Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry,
Russian Academy of Sciences, Moscow, Russia, and others)
pp. 139-150

Chapter 14
Protein–Protein Interaction in Photosynthetic Electron Transfer Chain: Computer Simulation
(Ilya B. Kovalenko, Anna M. Abaturova, Aleksandra N. Diakonova, Dmitry M. Ustinin, Sergei S. Khruschev, G.alina Yu. Riznichenko and
Andrei B. Rubin, Biological Faculty, Lomonosov Moscow State University, Leninskye Gory, Moscow, Russia, and other)
pp. 151-163

Chapter 15
Molecular–Dynamics Based Insights into the Problem of Graphite Melting
(Nikita D. Orekhov, Vladimir V. Stegailov, Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, Russia, and others)
pp. 165-174

Chapter 16
Phase Diagrams of Gas Hydrates: Molecular Simulation Studies
(Grigory S. Smirnov, Vladimir V. Stegailov, Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, Russia, and others)
pp. 175-185

pp. 1877-188

      Materials Science and Technologies
   Binding: Hardcover
   Pub. Date: 2015 - 2nd Quarter
   Pages: 6x9 - (NBC-C)
   ISBN: 978-1-63482-541-2
   Status: AV
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
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