Publications
Fatmi, M., Ai, R., and Chang, C-E. A., Synergistic
regulation and ligand-induced conformational changes of tryptophan synthase., Biochemistry,
2009. [link].
Angie Garcia, Dan Borchardt, Chia-En Chang* and Michael J.
Marsella*. Thermal Chemistry of
Marijuana: Synthesis of Non-Aromatic Cannabinoids with CB1 Receptor Affinity
Implicate Thermal Conversion of CBC to Δ1-THC, J. Am. Chem. Soc., 2009, 131,
16640-16641 [link]
Ai, R., Fatmi, M., and Chang, C-E. A., T-Analyst, a
program for efficient analysis of protein conformational changes. submitted
Yuhui
Cheng, Chang C-E. A., Yu
Z., Zhang Y., Leyhk T. S., Holst M. J. and McCammon J. A., Substrate Channeling
in the Sulfate Activating Complex: Combined Continuum Modeling and
Coarse-grained Brownian Dynamics Studies. Biophysical
J. 2008, 95, 4659-4667 [link]
Chang, C-E. A.,
McLaughlin, W., Baron, R., Wang W., McCammon, J. A., Entropic contributions and
the influence of the hydrophobic environment in promiscuous protein-protein
association Proc. Natl. Acad. Sci. U. S. A. 2008, 105:7456-7461
[link]
Chang, C-E. A.,
Chen, W. and Gilson, M. K., Analysis of the Change in Ligand Entropy upon
Protein Binding. Proc. Natl. Acad. Sci. U. S. A. 2007,104:1534-1539
[link]
Gorfe
A.A.*., Chang C-E. A.*, Ivanov I and McCammon JA Dynamics
of acetylcholinesterase tetramer. Biophysical
J. 2007, 94, 1144-1154 [link]
(* co-first authors)
Chang C-E. A.,
Trylska J., Tozzini V. and McCammon J. A., Binding Pathways of Ligands to HIV-1
Protease: Coarse-grained and Atomistic Simulations. Chemical Biology &
Drug Design.2007,69:5-13[link]
Tozzini T., Trylska J., Chang
C-E. and McCammon J. A., A Coarse-Grained Model for the Dynamcics of
Flap Opening in HIV-1 Protease. J. Structural Biology 2007, 157:606-615
[link],
[Supplemental Material].
Tozzini T., Trylska J., Chang
C-E. A. and McCammon J. A., Coarse-grained molecular dynamics study of
HIV-1 protease substrate capture and product release. Biophysical J. 2007,
92: 4179-4187 [link].
Chen, W., Chang, C-E.
and Gilson, M. K., Computational Analysis and Design of Artificial RGD
Receptors. J. Am. Chem. Soc. 2006, 128, 4675-4687 [link]
Chang C-E., Shen T.,
Trylska J., Tozzini V. and McCammon J. A., Gated Binding of Ligands to HIV-1
Protease: Brownian Dynamics Simulations in a Coarse-Grained Mode. Biophysical J, 2006, 90:
3880-3885 [link]
Minh
D.D, Chang C-E., Trylska J,
Tozzini V, and McCammon J.A., The Influence of Macromolecular Crowding on
HIV-1 Protease Molecular Dynamics. J. Am. Chem.
Soc. 2006, 128,
6006-6007 [link]
Chang, C-E., Chen, W. and Gilson, M. K., Evaluating the accuracy of the
quasiharmonic approximation. J. of Chemical Theory and Computation, 2005,
1, 1017-1028. [link]
Minh, D.L., Bui, J.M., Chang,
C-E., Jain T., and McCammon J.A., The Entropic Cost of Protein-Protein
Association: A Case Study on Acetylcholinesterase Binding to Fasciculin-2. Biophysical J, 2005, 89:L25-L27.
[link]
Chang, C-E. and Gilson, M. K., Free Energy, Entropy, and Induced Fit in
Host-Guest Recognition. J. Am. Chem. Soc. 2004, 126, 13156-13164. [link]
Chen, W., Chang, C-E. and Gilson, M. K., Calculation of
Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design.
Biophysical J, 2004, 87, 3035-3049. [link]
Chang, C.-E and
Gilson, M. K., Tork: A Conformational Analysis Method for Molecules and
Complexes, J. of Comput Chem, 2003, 24, 1987-1998. [link]
DeJong,
E. S.*, Chang, C.-E*., Gilson, M.
K., Marino, J. P., Proflavine Acts as a Rev Inhibitor by Targeting the
High-Affinity Rev Binding Site of the Rev-Responsive Element of HIV-1, Biochemistry, 2003. 42, 8035-8046.
(* co-first authors) [link]
Chang, C.-E.,
Potter, M. J. and Gilson, M. K., Direct Calculation of Conformational Free
Energies in All Degrees of Freedom, J. Phys. Chem. B., 2003. 107,
1048-1055. [link]