MSSMBS'04

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International Workshop MSSMBS 2004: Final Program

September 8

Arrival and Registration in "Dubna" hotel

September 9

• 09³⁰-10⁰⁰ Opening ceremony.
  
  Welcoming by JINR Directorate
• 10⁰⁰-10⁴⁵ Konstantin Shaitan.
  "Molecular dynamics simulations of bio- and nanostructures"

  M. V. Lomonosov Moscow State University, 119899 Khokhlov st. 1-12, Moscow, Russia

• 10⁴⁵-11³⁰ Fabio Pichierri
  "Quantum biophysics with linear-scaling electronic structure methods"

  COE, Laboratory of Computational Chemistry, Tohoku University, 2-1-1 Katahira, 980-8577 Sendai, Japan

• 11³⁰-11⁴⁵ Coffee Break
• 11⁴⁵-12³⁰ Kenji Yasuoka
  "Molecular dynamics simulations of cluster and bubble nucleation with special-purposes molecular dynamics machine"

  Department of Mechanical Engineering, Keio University, Yokohama 223-8522, Japan

• 12³⁰-13¹⁵ A. L. Rabinovich¹, P. O. Ripatti¹, N. K. Balabaev²
  "Computer simulations of model lipid membranes"

  ¹Institute of Biology, Karelian Research Centre, Russian Academy of Sciences, 185035 Pushkinskaja str. 11, Petrozavodsk, Russia
  ²Institute of Mathematical Problems of Biology, Russian Academy of Sciences, 142290 Pushchino, Moscow region, Russia

• 13¹⁵-14⁴⁵ Lunch
• 14⁴⁵-15¹⁵ Vasiliy Kornilov
  "Effects of the temperature and unsaturation on the structure and dynamics properties of unsaturated lipid monolayers by molecular dynamics simulations"

  Institute of Mathematical Problems of Biology, Russian Academy of Sciences, 142290 Pushchino, Moscow region, Russia

• 15¹⁵-15⁴⁵ A. A. Shahinyan, G. A. Yeghiazaryan, G. H. Pogosyan, and K. A. Shahinyan
  "Computational membranology. Molecular dynamics study of phospholipid bilayer"

  International Scientific-Educational Centre National Academy of Sciences, 375019, Bagramyan ave. 24, Yerevan, Armenia
  Institute of Applied Problems of Physics, National Academy of Sciences, 375014, H. Nersisyan str. 25, Yerevan, Armenia

• 15⁴⁵-16⁰⁰ Coffee Break
• 16⁰⁰-16⁴⁵ Mikhail Avdeev
  "Study of cluster state of fullerenes in solutions. Current state and prospects"

  Frank Laboratory of Neutron Physics, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow~region, Russia

• 16⁴⁵-17³⁰ Tom Darden
  "Towards more accurate force fields. What can we afford to simulate?"

  Laboratory of Structural Biology, NIEHS/NIH (National Institute of Enviromental Health Sciences, National Institute of Health), P. O. Box 12233, Research Triangle Park, NC 27709, USA

• 17³⁰-18³⁰ Poster session and short communications
1. K. Boiko, A. Kutsenko, A. Viktorov, T. Tikhonova, and V. Popov
   "Formate dehydrogenase substrate channel: a pathway from the bulk to the active site as revealed by molecular modeling"

   A. N. Bach Institute of Biochemistry, Russian Academy of Sciences, 119071 Leninsky av. 33, Moscow, Russia

2. A. M. Ruvinsky and A. E. Terekhov
   "Fast growth analysis of solvation free energies of sodium and chloride ions: comparison of thermostating schemes"

   Algodign, Force Field Laboratory 103379 B. Sadovaya, 8, Moscow, Russia

3. A. V. Saharyan, M. I. Aghajanov, and A. L. Shaljyan
   "The effect of low dose ionizing irradiation on membrane phospholipid fraction"

   Yerevan State Medical University, 375025, Koryun str. 2, Armenia

4. U. Gafurov and E. Dushanov
   "Simulation of nonlinear process of an elastic perturbation propagation in a crystallite polymeric chain"

   Nuclear Physics Institute, 702132 Ulugbek av., Tashkent, Uzbekistan

5. T. Iitaka and T. Ebisuzaki
   "Chebyshev polynomial expansion method for nano-quantum systems"

   Ebisuzaki Computational Astrophysics Laboratory, RIKEN (The Institute of Physical and Chemical Research), Hirosawa 2-1, Wako, Saitama 351-0198, Japan

• 19⁰⁰ Welcome party

September 10

• 09⁰⁰-09³⁰Tatiana Feldman
  "Spectral studies of rhodopsin photolysis: early products"

  Biochemical Physics Institute, Russian Academy of Sciences, 117997 Kosygin st. 4, Moscow, Russia

• 09³⁰-10⁰⁰Takahiro Koishi
  "Molecular dynamics simulation of nucleation in NaCl and NaCl-KCl mixture systems"

  Ebisuzaki Computational Astrophysics Laboratory, RIKEN (The Institute of Physical and Chemical Research), Hirosawa 2-1, Wako, Saitama 351-0198, Japan

• 10⁰⁰-10³⁰A. Yu. Teterev¹, M. V. Avdeev², Kh. T. Kholmurodov³, V. L. Aksenov²
  "Molecular dynamic simulation of fullerene solution in sodium disulfide"

  ¹Moscow State University, Russia
  ²Frank Laboratory of Neutron Physics, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow region, Russia
  ³Deparment of Radiation and Radiobiological Research, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow~region, Russia

• 10³⁰-10⁴⁰ Coffee Break
• 10⁴⁰-11²⁵Toshiaki Iitaka
  "First principles molecular dynamics simulations for planetary and earth sciences: methane hydrate, post-perovskite and solid argon"

  Ebisuzaki Computational Astrophysics Laboratory, RIKEN (The Institute of Physical and Chemical Research), Hirosawa 2-1, Wako, Saitama 351-0198, Japan

• 11²⁵-11⁵⁵ J. Busa^1,2,3, E. Hayryan^2,3, S. Hayryan³, C.-K. Hu³, J. Skrivanek^1,2,3, and M.-C. Wu³
  "Macromolecular cavities, accessible surface area, and solvent-excluded volume"

  ¹Technical University in Kosice, 04001 Kosice, Slovak Republic
  ²Joint Institute for Nuclear Research, 141980 Dubna, Moscow region, Russia
  ³Institute of Physics, Academia Sinica, 11529 Taipei, Nankang, Taiwan

• 11⁵⁵-12²⁵D. Kretov and Kh. Kholmurodov
  "MD simulations of linear chain polyethylene"

  Deparment of Radiation and Radiobiological Research, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow region, Russia

• 12²⁵-13³⁰ Lunch
• 13³⁰-14⁰⁰M. K. Karagyozyan, A. R. Khachatryan, and K. G. Karageuzyan
  "Mathematical analysis for modeling of antioxidant action of immunofilin fragments at intoxication with micotoxin zearalenon"

  Institute of Molecular Biology, National Academy of Sciences, 375044 Hasratian st. 7,Yerevan, Armenia

• 14⁰⁰-14³⁰M. Altaisky, V. Krylov, and Kh. Kholmurodov
  "Multiscale implementation of fast multipole method"

  Deparment of Radiation and Radiobiological Research, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow region, Russia

• 14³⁰-15⁰⁰Kholmirzo Kholmurodov
  "MD simulations for biological structures"

  Deparment of Radiation and Radiobiological Research, JINR (Joint Institute for Nuclear Research), 141980 Dubna, Moscow region, Russia

• 15⁰⁰-16⁰⁰ Closing, Round table, Coffee
• 16⁰⁰ Excursion to JINR