Publications
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2005. Electrostatic polymer condensation and the A/B polymorphism in DNA: Sequence effects. J. Chem. Theory Comput.. 1:325–336.
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2004. Molecular cloning of a mollusk glucanase. Comp. Biochem. Physiol.. 137:169–178.
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2004. Single-stranded breaks relax intrinsic curvature in DNA? Biochemistry. 43:8160–8168.
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2003. Titration \em in silico of reversible B$łeftrightarrow$A transitions in DNA. J. Am. Chem. Soc.. 125:7849–7859.
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2002. Comparative bending dynamics in DNA with and without regularly repeated adenine tracts. Phys. Rev. E. 66:011917.
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2002. DNA dynamics in a water drop without counterions. J. Am. Chem. Soc.. 124:14707–14715.
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2001. Internal coordinate phase space analysis of macromolecular systems. Comput. Theor. Polym. Sci.. 11:35–47.
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2001. Internal coordinate simulation method. Computational Biochemistry and Biophysics. :115–131.
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2001. Molecular dynamics of minimal B-DNA. J. Comput. Chem.. 22:457–467.
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2001. Molecular dynamics studies of sequence-directed curvature in bending locus of Trypanosome kinetoplast DNA. J. Biomol. Struct. Dyn.. 18:832–843.
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2001. Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution. J. Biol. Chem.. 276:46364–46370.
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2000. Theoretical studies of the possible origin of intrinsic static bends in double helical DNA. J. Am. Chem. Soc.. 122:12778–12785.
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1999. Internal correlations in minor groove profiles of experimental and computed B-DNA conformations. J. Mol. Biol.. 290:373–377.
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1999. Symplectic integration of closed chain rigid body dynamics with internal coordinate equations of motion. J. Chem. Phys.. 111:1407–1414.
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1998. Accurate DNA dynamics without accurate long range electrostatics. J. Am. Chem. Soc.. 120:10928–10937.
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1998. Hierarchy of fast motions in protein dynamics. J. Phys. Chem. B. 102:473–479.
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1997. Common molecular dynamics algorithms revisited: Accuracy and optimal time steps of St\H ormer-leapfrog integrators. J. Comput. Phys.. 136:354–365.
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1997. Quasi-Hamiltonian equations of motion for internal coordinate molecular dynamics of polymers. J. Comput. Chem.. 18:1354–1364.
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1994. The catalytic mechanism of {$\alpha$}-amylases based upon enzyme crystal structures and model building calculations. Biochem. Biophys. Res. Commun.. 204:297–302.
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1993. Investigation of conformational equilibrium of polypeptides by internal coordinate stochastic dynamics: Met-enkephalin. J. Biomol. Struct. Dyn.. 10:143–167.
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1993. Multiple attack in the porcine pancreatic alpha-amylase hydrolysis of amylose and amylopectine. Arch. Biochem. Biophys.. 306:29–38.
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1993. Optimization of numerical algorithms for internal coordinate molecular dynamics. J. Comput. Phys.. 107:359–366.
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1992. Global optimization of conformation energy of polypeptides by tunnel algorithm. Biophysics. 37:226–230.
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1992. Modeling of the possible binding modes of substrates in the active site of Taka-Amylase A. Mol. Biol.. 26:292–299.