1989 – 2000

45. M. Vijayakumar and H.-X. Zhou (2000). Prediction of residue-residue pair frequencies in proteins. J. Phys. Chem. B 104, 9755-9764.pdf

44. Y. Shan and H.-X. Zhou (2000). Correspondence of potentials of mean force in proteins and in liquids. J. Chem. Phys. 113, 4794-4798.pdf

43. A. M. Berezhkovskii, A. Szabo, G. H. Weiss, and H.-X. Zhou (1999). Reaction dynamics on a thermally fluctuating potential. J. Chem. Phys. 111, 9952-9957. pdf

42. M. Vijayakumar, H. Qian, and H.-X. Zhou (1999). Hydrogen bonds between short polar side chains and peptide backbone: prevalence in proteins and effects on helix-forming propensities. Proteins 34, 497-507.pdf

41. H.-X. Zhou, S. T. Wlodek, and J. A. McCammon (1998). Conformation gating as a mechanism for enzyme specificity. Proc. Natl. Acad. Sci. USA 95, 9280-9283.pdf

40. M. Vijayakumar, K.-Y. Wong, G. Schreiber, A. R. Fersht, A. Szabo, and H.-X. Zhou (1998). Electrostatic enhancement of diffusion-controlled protein-protein association: comparison of theory and experiment on barnase and barstar. J. Mol. Biol. 278, 1015-1024.pdf

39. H.-X. Zhou (1998). Theory of the diffusion-influenced substrate binding rate to a buried and gated active site. J. Chem. Phys.108, 8146-8154.

38. H.-X. Zhou (1998). Comparison of three Brownian-dynamics algorithms for calculating rate constants of diffusion-influenced reactions. J. Chem. Phys.108, 8139-8145.

37. H.-X. Zhou, J. M. Briggs, S. Tara, and J. A. McCammon (1998). Correlation between rate of enzyme-substrate diffusional encounter and average Boltzmann factor around active site. Biopolymers 45, 355-360.

36. H.-X. Zhou (1997). Enhancement of protein-protein association rate by interaction potential: accuracy of prediction based on local Boltzmann factor. Biophys. J. 73, 2441-2445. pdf

35. H.-X. Zhou, K.-Y. Wong, and M. Vijayakumar (1997). Design of fast enzymes by optimizing interaction potential in active site. Proc. Natl. Acad. Sci. USA 94, 12372-12377.pdf

34. H.-X. Zhou (1997). Theory and simulation of the influence of diffusion in enzyme-catalyzed reactions. J. Phys. Chem. B 101, 6642-6651.

33. H.-X. Zhou and M. Vijayakumar (1997). Modeling of protein conformational fluctuations in pKa predictions. J. Mol. Biol. 267, 1002-1011.

32. H.-X. Zhou (1997). Control of reduction potential by protein matrix: lesson from a spherical protein model. J. Biol. Inorg. Chem. 2, 109-113.

31. H.-X. Zhou, J. M. Briggs, and J. A. McCammon (1996). A 240-fold electrostatic rate-enhancement for acetylcholinesterase-substrate binding can be predicted by the potential within the active site. J. Am. Chem. Soc. 118, 13069-13070.

30. H.-X. Zhou (1996). Effect of interaction potentials in diffusion-influenced reactions with small reactive regions. J. Chem. Phys. 105, 7235-7237. pdf

29. H.-X. Zhou and A. Szabo (1996). Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions. Biophys. J. 71, 2440-2457.

28. H.-X. Zhou (1996). Dielectric continuum model for calculating reorganization free energies of electron transfer in proteins. J. Chem. Phys. 105, 3726-3733.

27. H.-X. Zhou and Y. Chen (1996). Chemically driven motility of Brownian particles. Phys. Rev. Lett. 77, 194-197.pdf

26. M. J. Potter, B. Luty, H.-X. Zhou, and J. A. McCammon (1996). Time-dependent rate coefficients from Brownian dynamics simulations. J. Phys. Chem. 100, 5149-5154.

25. H.-X. Zhou and A. Szabo (1996). Theory and simulation of stochastically-gated diffusion-influenced reactions. J. Phys. Chem. 100, 2597-2604.

24. J. A. Ernst, R. T. Clubb, H.-X. Zhou, A. M. Gronenborn, and G. M. Clore (1995). Use of NMR to detect water within nonpolar protein cavities. Science 270, 1848-1849.

23. H.-X. Zhou (1995). Calculation of translational friction and intrinsic viscosity. II. Application to globular proteins. Biophys. J. 69, 2298-2303. pdf

22. H.-X. Zhou (1995). Calculation of translational friction and intrinsic viscosity. I. General formulation for arbitrarily shaped particles. Biophys. J. 69, 2286-2297.

21. H.-X. Zhou and A. Szabo (1995). Microscopic formulation of Marcus’ theory of electron transfer. J. Chem. Phys. 103, 3481-3494.

20. J. A. Ernst, R. T. Clubb, H.-X. Zhou, A. M. Gronenborn, and G. M. Clore (1995). Demonstration of positionally disordered water within a protein hydrophobic cavity by NMR. Science 267, 1813-1817.

19. H.-X. Zhou (1995). Continuum-model studies of redox reactions, complex formation, and electron transfer: the paradigm of cytochrome c and cytochrome c peroxidase. in A. Pullman, J. Jortner, and B. Pullman (Eds.), “Modelling of Biomolecular Structures and Mechanisms”, 381-398. Kluwer Academic Publishers, Dordrecht.

18. H.-X. Zhou (1994). Effects of mutations and complex formation on the redox potentials of cytochrome c and cytochrome c peroxidase. J. Am. Chem. Soc. 116, 10362-10375.

17. J. F. Douglas, H.-X. Zhou, and J. B. Hubbard (1994). Hydrodynamic friction and the electrostatic capacitance of an arbitrarily-shaped objects. Phys. Rev. E 49, 5319-5331.

16. H.-X. Zhou, A. Szabo, J. F. Douglas, and J. B. Hubbard (1994). A Brownian dynamics algorithm for calculating the hydrodynamic friction and the electrostatic capacitance of an arbitrarily-shaped object. J. Chem. Phys. 100, 3821-3826. pdf

15. H.-X. Zhou (1994). Macromolecular electrostatic energy within the nonlinear Poisson-Boltzmann equation. J. Chem. Phys. 100, 3152-3162. pdf

14. O. Schaad, H.-X. Zhou, A. Szabo, W. A. Eaton, and E. R. Henry (1993). Simulation of the kinetics of ligand binding to a protein by molecular dynamics: geminate rebinding of nitric oxide to myoglobin. Proc. Natl. Acad. Sci. USA 90, 9547-9551.

13. H.-X. Zhou (1993). Boundary element solution of macromolecular electrostatics: interaction energy between two proteins. Biophys. J. 65, 955-963.

12. H.-X. Zhou (1993). Brownian dynamics study of the influences of electrostatic interaction and diffusion on protein-protein association kinetics. Biophys. J. 64, 1711-1726.

11. H.-X. Zhou (1993). Dynamic spherical model for solvation in a dipolar lattice. J. Phys. Chem. 97, 4216-4223.

10. H.-X. Zhou, B. Bagchi, A. Papazyan, and M. Maroncelli (1992). Solvation dynamics in a Brownian dipole lattice: a comparison between theory and computer simulation. J. Chem. Phys. 97, 9311-9320.

9. B. A. Luty, J. A. McCammon, and H.-X. Zhou (1992). Diffusive reaction rates from Brownian dynamics simulations: replacing the outer cut-off surface by an analytical treatment. J. Chem. Phys. 97, 5682-5686.

8. H.-X. Zhou and B. Bagchi (1992). Dielectric and orientational relaxation in a Brownian dipolar lattice. J. Chem. Phys. 97, 3610-3620.

7. H.-X. Zhou and A. Szabo (1991). Comparison between molecular dynamics simulations and the Smoluchowski theory of reactions in a hard sphere liquid. J. Chem. Phys. 95, 5948-5952.

6. H.-X. Zhou and R. Zwanzig (1991). A rate process with an entropy barrier. J. Chem. Phys. 94, 6147-6152.

5. H.-X. Zhou (1990). Kinetics of diffusion-influenced reactions studied by Brownian dynamics. J. Phys. Chem. 94, 8794-8800.

4. H.-X. Zhou and F. A. Ferrone (1990). Theoretical description of the spatial dependence of sickle hemoglobin polymerization. Biophys. J. 58, 695-703.

3. H.-X. Zhou and A. Szabo (1990). Mean field theory of transient fluorescence quenching in the frequency domain. J. Chem. Phys. 92, 3874-3880.

2. H.-X. Zhou (1990). On the calculation of diffusive reaction rates using Brownian dynamics simulations. J. Chem. Phys. 92, 3092-3095.

1. H.-X. Zhou (1989). The exponential nature of barrier crossings studied by Langevin dynamics. Chem. Phys. Lett. 164, 285-290.