Download Molecular Simulation Studies in Material and Biological Sciences

Information about the regular Japan-Russia
International Workshop MSSMBS’04/06/08/..
“Molecular Simulation Studies in Material
and Biological Sciences”
Kholmirzo T. Kholmurodov
(chairman)
Organized by:
Laboratory of Radiation Biology of Joint Institute for Nuclear Research
Keio University, Tokyo, Japan
MSSMBS - "Molecular Simulation Studies in
Material and Biological Sciences"
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International Workshop MSSMBS‘04
September 8-10, 2004 , LRB/JINR, Dubna
http://lrb.jinr.ru/conf/mssmbs08/mssmbs04E.html
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International Workshop MSSMBS’06
September 19-20, 2006, LRB/JINR, Dubna
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http://lrb.jinr.ru/conf/mssmbs08/mssmbs06E.html
International Workshop MSSMBS’08
September 10-12, 2008, LRB/JINR, Dubna
http://lrb.jinr.ru/conf/mssmbs08/mssmbs08E.html
MSSMBS’04/06/08
Co-sponsors:
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Joint Institute for Nuclear Research, Dubna
http://www.jinr.ru/
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Medical Center "Avicenna", Ltd., Moscow
http://www.avicenna.ru/
RFBR (Russian Foundation for Basic Research)
http://www.rfbr.ru/
NIIPA (Applied Acoustics Research Institute), Dubna
http://www.niipa.ru/
MSSMBS’04/06/08
Topics covered:
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Protein modelling
Drug design
Membranes, lipids
Simulation of radiation-induced damages and
mutations
Nanostructures
Quantum biophysics, electronic structure of
macromolecules
Computer molecular simulations of physical
and chemical systems
Parallel computing for the chemical physics
and biomolecular studies
MSSMBS’04/06/08
The principal aims:
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To provide a platform for computer molecular
simulation communities and scientists working in the
material and biological areas to meet and share
thoughts on latest trends. Main objective is to focus on
the molecular dynamics simulations of the chemical
physics and biophysical systems, new generations of
high speed MD-machines for protein simulations.
Contributions are from the leading research groups of
Japan, EU and Russia. Broad discussion of the
radiobiological experimental studies and achievements
of the JINR basic facilities to be presented. Sightseeing
of the major JINR experimental facilities and Dubna
historical sites will be provided.
International Workshop MSSMBS’04
List of keynote speakers:
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Konstantin Shaitan, M. V. Lomonosov Moscow State University
"Molecular dynamics simulations of bio- and nanostructures"
Fabio Pichierri, Laboratory of Computational Chemistry, Tohoku University, Japan
"Quantum biophysics with linear-scaling electronic structure methods"
Kenji Yasuoka, Keio University, Japan
"Molecular dynamics simulations of cluster and bubble nucleation with special-purposes molecular dynamics
machine
Takahiro Koishi, T.Iitaka and T.Ebisuzaki,Computational Astrophysics Laboratory, RIKEN, Japan
"Molecular dynamics simulation of nucleation in NaCl and NaCl-KCl mixture systems"
A. L. Rabinovich, Institute of Biology, Karelian Research Centre, RAS, Russia
"Computer simulations of model lipid membranes
Vasiliy Kornilov, Institute of Mathematical Problems of Biology, RAS, Russia
"Effects of the temperature and unsaturation on the structure and dynamics properties of unsaturated lipid
monolayers by molecular dynamics simulations
Tom Darden, National Institute of Health, USA
"Towards more accurate force fields. What can we afford to simulate?"
A. V. Saharyan, Yerevan State Medical University,
"The effect of low dose ionizing irradiation on membrane phospholipid fraction"
Tatiana Feldman, Biochemical Physics Institute, RAS, Russia
"Spectral studies of rhodopsin photolysis: early products"
J. Busa, 1Technical University in Kosice, 04001 Kosice, Slovak Republic
"Macromolecular cavities, accessible surface area, and solvent-excluded volume"
A. R. Khachatryan, Institute of Molecular Biology, National Academy of Sciences, Armenia
"Mathematical analysis for modeling of antioxidant action of immunofilin fragments at intoxication with micotoxin
zearalenon
International Workshop MSSMBS’06
List of keynote speakers:
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Konstantin Shaitan, M. V. Lomonosov Moscow State University
“Simulation of Erythrocyte Membrane. Molecular Dynamics Study”
"Molecular Simulations of Transmembrane Ion Channels“
"Hydration Free Energies of Amino Acids From Computer Simulations"
A. Kenoufi, Center for Atomic-scale Materials Physics (CAMP), Technical University of Denmark,
"Geometry optimization of complex materials systems"
V.Sree Hari Rao, Jawaharlal Nehru Technological University, Hyderabad, India
"On the activation function of bipolar cells: a quantum mechanical model"
M.V.Avdeev, Frank Laboratory of Neutron Physics, JINR, Dubna, Russia
"Nonmonotonic Behavior of the Concentration in the Kinetics of Dissolution of Fullerenes"
M.Furuya, Y.Ando, K.Yasuoka and K.Kurihara, Keio University, Yokohama, Japan
"Variation for Microscopic Structure of Ethanol/Cyclohexane Binary Liquid With Mole Fraction and Molecular
Description of Self-Diffusion Coefficient of Ethanol"
T.Mima, Yasuoka Laboratory, Keio University , Yokohama, Japan
"Molecular Dynamics Simulation on Confined Liquid Crystals"
Y.Ohno, T.Narumi, N.Okimoto, T.Koishi, A.Suenaga, N.Futatsugi, R.Yanai, M.Taiji, Genomic Sciences
Center, The Institute of Physical and Chemical Research, Kanagawa, Japan
"MDGRAPE-3 System. A PFLOPS Special-Purpose Computer System for Molecular Dynamics Simulations "
E.V.Miroshnichenko, A.V.Shestopalova, Institute of Radiophysics and Electronics, NAS, Kharkov, Ukraine
"Molecular Dynamics Simulation of RNA I-Motif"
R.A.Selwyne, Department of Botany, Bharahthiar University, TamilNadu, India
"Homology Modeling and Molecular Dynamics of Cyclin-Dependent Proteinkinases: yCDC28 and hCDK2"
International Workshop MSSMBS’08,
List of keynote speakers:
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Abdelouhab Kenoufi (LNEC, Lisbon, Portugal)
Mitsuhiro Matsumoto (Kyoto University, Japan)
Konstantin Shaitan (Moscow State University)
Victor Lakhno (IMPB, Puschino, Russia)
Kenji Yasuoka (Keio University, Japan)
Tatyana Feldman (Biochemical Physics Institute RAS)
Mikhail Avdeev (JINR, Frank Lab. Neutron Physics)
Roman Efremov (Institute of Bioorganic Chemistry RAS)
Alexander Nemukhin (Moscow State University)
Aram Shahinyan (NAS, Armenia)
Tetsu Narumi (Keio University, Japan)
Yuichi Masubuchi (Kyoto University, Japan)
Tetsuya Morishita (Res. Inst. Comp. Sci., AIST, Japan)
Yoshinori Hirano (School of Medicine, Keio University, Japan)
https://www.novapublishers.com/catalog/product_info.php?products_id=4121
http://www.mendcomm.org
http://www.elsevier.org
MSSMBS'08 is going to publish the proceedings by the Universities Press (I) Pvt. Ltd. Hyderabad, INDIA
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Molecular Simulation in Material and Biological Research
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Editors: Kh. T. Kholmurodov (Center for Molecular Modeling, Joint Inst. for Nuclear Research, Moscow
Region, Russia)
Book Description:
This new and important book focuses on the different aspects of molecular simulation in material and
biological research, on the computational and theoretical studies of atomic and molecular interactions,
dynamics in between atoms, molecules, ions, clusters and surfaces, with emphasis on bio-molecular protein
simulation including:
Protein modeling
Drug design
Simulation of liquids
Liquid crystals, polymer systems
Simulation of radiation-induced damages and mutations
Quantum biophysics, electronic structure of macromolecules
Parallel computing for the chemical physics and bio-molecular studies
Table of Contents:
Preface:
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Computer Molecular Simulation Studies in Material and Biological Sciences: An Introduction
1. Microbubbles: from Mechanical Stability to Hybrid Simulation
(Mitsuhiro Matsumoto, Department of Mechanical Engineering and Science, Graduate School of Engineering,
Kyoto University, Japan)
2. Theoretical Characterization of Bathorhodopsin (Maria G. Khrenova, Anastasia V. Bochenkova, Alexander
V. Nemukhin, Department of Chemistry, M.V. Lomonosov Moscow State University, Russia and others}
3. Using Special-Purpose and Video-Game Computers for Accelerating Molecular Dynamics Simulations
(Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka and Kenji Yasuoka, Department of Mechanical Engineering,
Keio University, Japan)
3. Using Special-Purpose and Video-Game Computers for Accelerating Molecular Dynamics Simulations
(Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka and Kenji Yasuoka, Department of Mechanical
Engineering, Keio University, Japan)
4. A Route to Molecular Electrostatics through Atomic Charges Generated by Means of Fast and Robust
Empirical Schemes (D. Shulga, A. Oliferenko, S. Pisarev, V. Palyulin, N. Zefirov, Institute of
Physiologically Active Compounds, Russian Academy of Sciences, Chernogolovka, Russia)
5. Molecular Dynamics Study of Retinitis Pigmentosa: Rhodopsin Mutation E181K (T. Feldman, Kh.
Kholmurodov and M. Ostrovsky, N. M. Emanuel Institute of Biochemical Physics, Russian Academy of
Sciences, Moscow, Russia)
6. MD Simulations on Parallel Computing Clusters with Different Communication Architectures (E.
Dushanov, Kh. Kholmurodov and V. Korenkov, Joint Institute for Nuclear Research, Dubna, Russia)
7. Molecular Dynamics Study of the CDK2 — Cyclin A Interface in the Kinase Gly16Ser and Arg274Gln
Mutants (N. Koltovaya, G. Aru and Kh. Kholmurodov, Laboratory of Radiation Biology, Joint Institute for
Nuclear Research, Moscow, Russia and others)
8. MD Simulations of Nano- and Biostructures: Cluster-Surface Interaction and Protein Mutation
Transition (Kh. Kholmurodov, Laboratory of Radiation Biology, Joint Institute for Nuclear Research,
International University "Dubna", Russia)
9. Finding Low-Energy Configurations of Copper-Based Bulk Metallic Glasses using Minima Hopping
Global Optimization Method (A. Kenoufi, RTaW Ltd, INRIA Espace Transfert, Villers-les-Nancy, France)
Index
Binding: Hardcover Pub. Date: 2009 3rd Quarter ISBN: 978-1-60741-553-4
Thank you!
ありがとう ございます。