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Our general focus is on theoretical and computational
studies of biomolecular structure, dynamics and function.
We are particularly interested in modeling weakly stable peptides and
proteins and understanding their roles in important biological
processes including regulation of transcription and translation,
signal transduction and disease-related protein misfolding. In
collaboration with John Tomich's lab, we also apply computer
modeling to determine the selectivity, transport and gating
mechanisms of designed anion selective channels. | ||
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Selected Publications J. Chen and C. L. Brooks III. (2007) Critical importance of length scale dependence in implicit modeling of hydrophobic interactions, J. Am. Chem. Soc. 129, 2444-2445. (PubMed) J. Khandogin, J. Chen and C. L. Brooks III. (2006) Exploring atomistic details of pH-dependent peptide folding. Proc. Natl. Acad. Sci. U. S. A. 103, 18546-18550. (PubMed) J. Chen, W. Im and C. L. Brooks III. (2006) Balancing solvation and intramolecular interactions: Toward a consistent generalized Born force field. J. Am. Chem. Soc. 128, 3728-36. (PubMed) J. Chen, W. Im and C. L. Brooks III. (2005) Application of torsion angle molecular dynamics for efficient sampling of protein conformation. J. Comput. Chem. 26, 1565-78. (PubMed) J. Chen, W. Im and C. L. Brooks III. (2004) Refinement of NMR structures using implicit solvent and advanced sampling techniques. J. Am. Chem. Soc. 126, 16038-16047. (PubMed) J. Chen, D. Nietlispach, V. A. Mandelshtam, and A. J. Shaka. (2004) Ultra-high resolution 3D NMR spectra from limited-size data sets. J. Magn. Reson., 169, 215-224. (PubMed) | ||
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Complete Publications List
(please visit our lab webpage for lastest updates) |