Động lực học phân tử mở rộng với NAMD
Tóm tắt
Từ khóa
Tài liệu tham khảo
Hockney R. W., 1981, Computer Simulation Using Particles
Dahlquist G., 1974, Numerical Methods
Frenkel D., 2002, Understanding Molecular Simulation from Algorithms to Applications
Gear C. W., 1971, Numerical Initial Value Problems in Ordinary Differential Equations
Grubmüller H.Master's thesis Physik‐Dept. der Tech. Univ. Munich Germany 1989.
Bhandarkar M.;Brunner R.;Chipot C.;Dalke A.;Dixit S.;Grayson P.;Gullingsrud J.;Gursoy A.;Hardy D.;Humphrey W.;Hurwitz D.;Krawetz N.;Nelson M.;Phillips J.;Shinozaki A.;Zheng G.;Zhu F.NAMD user's guide version 2.5.http://www.ks.uiuc.edu/Research/namd/2.5/ug/ug.html.
Hoover W. G., 1991, Computational Statistical Mechanics
Izrailev S., 1998, Computational Molecular Dynamics: Challenges, Methods, Ideas, 39
Kuhn L. A., Protein Flexibility and Folding
J. Stone J. Gullingsrud P. Grayson K. Schulten J. F. Hughes C. H. Séquin 2001 ACM SIGGRAPH New York 191
Taylor R. M. II. VRPN: Virtual Reality Peripheral Network 1998.http://www.cs.unc.edu/Research/vrpn.
Dachille F.;Qin H.;Kaufman A.;El‐Sana J.In 1999 Symposium on Interactive 3D Graphics 1999 p.103.
Cohen J.;Grayson P.AutoIMD User's Guide 2003.http://www.ks.uiuc.edu/Research/vmd/plugins/autoimd.
Allen M. P., 1987, Computer Simulation of Liquids
Kalé L. V., 2002, LACSI 2002
Brunner R. K., 2000, Parallel and Distributed Computing for Symbolic and Irregular Applications, 167
Phillips J. C., 1998, Computational Molecular Dynamics: Challenges, Methods, Ideas, 472
Ousterhout J., 1994, Tcl and the Tk Toolkit
Kale L. V.;Zheng G.;Lee C. W.;Kumar S.InFuture Generation Computer Systems Special Issue on: Large‐Scale System Performance Modeling and Analysis;in press.
F. Petrini D. J. Kerbyson S. Pakin 2003 IEEE Press Piscataway NJ
J. Phillips G. Zheng S. Kumar L. Kale 2002 IEEE Press Piscataway NJ
Tajkhorshid E., 2005, Bacterial Ion Channels and Their Eukaryotic Homologues, 153
Ptashne M., 1992, A Genetic Switch
The RCSB Protein Data Bank.http://www.rcsb.org/pdb.
M. Bhandarkar G. Budescu W. Humphrey J. A. Izaguirre S. Izrailev L. V. Kalé D. Kosztin F. Molnar J. C. Phillips K. Schulten A. G. Bruzzone A. Uchrmacher E. H. Page 1999 SCS International San Francisco San Francisco CA 242