# Publications

SMall Molecule Growth 2001 (SMoG2001): An Improved Knowledge-Based Scoring Function for Protein−Ligand Interactions. J. Med. Chem. 45, 13, 2770 - 2780 (2002). Publisher's VersionAbstract

The ensemble folding kinetics of protein G from an all-atom Monte Carlo simulation. Proc. Natl. Acad. Sci. USA 99, 17, 11175 - 11180 (2002). Publisher's VersionAbstract

Mechanical Response of Random Heteropolymers. Macromolecules 35, 11, 4429 - 4436 (2002). Publisher's VersionAbstract

Field theory and segmental alignment analysis for a solution of sequence disordered liquid crystalline polymers. J. Chem. Phys. 116, 7, 3134 (2002). Publisher's VersionAbstract

A structure-based method for derivation of all-atom potentials for protein folding. Proc. Natl. Acad. Sci. USA 99, 8, 5343 - 5348 (2002). Publisher's VersionAbstract

Expanding protein universe and its origin from the biological Big Bang. Proc. Natl. Acad. Sci. USA 99, 22, 14132 - 14136 (2002). Publisher's VersionAbstract

Thermodynamics and Folding Kinetics Analysis of the SH3 Domain form Discrete Molecular Dynamics. Journal of Molecular Biology 318, 3, 863 - 876 (2002). Publisher's VersionAbstract

Topological determinants of protein folding. Proc. Natl. Acad. Sci. USA 99, 13, 8637 - 8641 (2002). Publisher's VersionAbstract

Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc. Natl. Acad. Sci. USA 99, 3, 1270 - 1273 (2002). Publisher's VersionAbstract

Characterization of the folding kinetics of a three-helix bundle protein via a minimalist Langevin model. Journal of Molecular Biology 310, 3, 673 - 685 (2001). Publisher's VersionAbstract

Constructing, verifying, and dissecting the folding transition state of chymotrypsin inhibitor 2 with all-atom simulations. Proc. Natl. Acad. Sci. USA 98, 23, 13014 - 13018 (2001). Publisher's VersionAbstract

Excluded volume in protein side-chain packing. Journal of Molecular Biology 311, 1, 183 - 193 (2001). Publisher's VersionAbstract

Different circular permutations produced different folding nuclei in proteins: a computational study. Journal of Molecular Biology 306, 1, 121 - 132 (2001). Publisher's VersionAbstract

Understanding hierarchical protein evolution from first principles. Journal of Molecular Biology 312, 1, 289 - 307 (2001). Publisher's VersionAbstract

Mode-coupling theory for heteropolymers. Phys. Rev. E 63, 4, 041501 (2001). Publisher's VersionAbstract

Energy Profile of the Space of Model Protein Sequences. Journal of Biological Physics 27, 2-3, 147 - 159 (2001). Publisher's VersionAbstract

Exotic phase transitions in disordered globular networks. J. Chem. Phys. 114, 24, 10968 (2001). Publisher's VersionAbstract

The folding thermodynamics and kinetics of crambin using an all-atom monte carlo simulation. Journal of Molecular Biology 308, 1, 79 - 95 (2001). Publisher's VersionAbstract

Protein Folding Theory: From Lattice to All-Atom Models. Annual Review of Biophysics and Biomolecular Structure 30, 1, 361 - 396 (2001). Publisher's VersionAbstract

Dynamic charge-density correlation function in weakly charged polyampholyte globules. Phys. Rev. E 64, 4, 041802 (2001). Publisher's VersionAbstract