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| Equilibrium Statistical Physics | Non-equilibrium Statistical Physics | Nonlinear Dynamics & Avalanche Process | Parallel Computing & Protein Simulation | Theoretical Biophysics & Medical Physics | Economical & Social Model |
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Parallel Computing and Protein Simulation |
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Computing package and algorithms for simulations of proteins in parallel computers. |
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[SMMP] A modern package for simulation of proteins, Computer Phys. Commu., 138, 192-212 (2001). PDF |
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Multicanonical parallel simulation of proteins with continuous potentials, J. Comp. Chem. 22, 1287-1296 (2001). PDF |
| ¡@ | ¡@ | Parallel tempering simulations of HP-36, Proteins -- Structure, Function and Genetics 52, 436-445 (2003). PDF |
| ¡@ | ¡@ | A new analytical method for computing solvent accessible surface area and its gradients for macromolecules, J. Comp. Chem. 26, 334 (2005). PDF |
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ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations, submitted to Computer Phys. Commu. 165, 59 (2005). PDF |
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Structure determination of organic molecules |
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Energy landscape paving for X-ray structure determination of organic molecules, Acta. Crystallogr. A 58, 259-264 (2002). PDF |
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Structure determination of organic molecules from diffraction data by simulated annealing, Phys. Rev. E 64, 056707 (2001). PDF |
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