PEOPLE: CURRENT LAB MEMBERS

Jae Shick Yang, PhD [cv]
Research Associate
Department of Chemistry and Chemical Biology
Harvard University
12 Oxford St.
Cambridge, MA 02138
Tel: (617) 496-5499
Fax: (617) 384-9228
jyang@fas.harvard.edu; yjshick@gmail.com

Research Summary

Ab initio all-atom Monte Carlo simulation of proteins for protein folding & structure prediction

Research Experience

• Membrane seperation (pervaporation), Seoul National University, Korea
• Molecular simulation of gas diffusion in polymers, Seoul National University, Korea
• Atomistic-continuum model of mechanical properties, ETH Zürich, Switzerland
• Chip & probe design; data analysis in DNA chip, Samsung Advanced Institute of Technology, Korea
• Development of an energy function for protein folding & structure prediction, Harvard University, USA

List of Publications

1. J. S. Yang, S. Willin, E. I. Shakhnovich, “ Universality and Diversity of Folding Mechanics of Three-helix Bundle Proteins”, Proc. Natl. Acad. Sci. USA, 105, 895-900 (2008).
2. J. S. Yang, W. W. Chen, J. Skolnick, E. I. Shakhnovich, “ All-atomab initio Folding of a Diverse Set of Proteinis”, Structure, 15, 53-63 (2007).
3. W. W. Chen, J. S. Yang, E. I. Shakhnovich, “A Knowledge-based Move Set for Protein Folding”, Proteins: Structure, Function, and Bioiniformatics, 66, 682-688 (2007) (Co-first authors).
4. H. S. Shim, T. S. Park, J. S. Yang, “Robust Genotyping Method Using DNA Chip and DNA Chip Therein”, U.S. Patent US2005/0089877, Apr. 28 (2005).
5. S. H. Yang, J. Huh, J. S. Yang, W. H. Jo, “A Density Functional Study on the Stereoselectivity of Styrene Polymerization with ansa-Metallocene Catalyst”, Macromolecules, 37, 5741-5751 (2004).
6. J. S. Yang, W. H. Jo, S. Santos, U. W. Suter, “ Plastic Deformation of Bisphenol-A-Polycarbonate: Applying an Atomistic-Continuum Model”, In Simulation Methods for Polymers, M . J. Kotelyanskii , D . N . Theodorou Eds., Dekker, Chapter 11, (2004).
7. W. H. Jo, J. S. Yang, “Molecular Simulation Approaches for Multiphase Polymer Systems”, Adv. Polym. Sci., 156, 1-51 (2002).
8. J. S. Yang, W. H. Jo, “Analysis of elastic deformation of poly(trimethylene terephthalate) by atomistic-continuum model”, J. Chem. Phys., 114, 8159-8164 (2001).
9. S. H. Yang, J. S. Yang, W. H. Jo, “Relation between Conformational Properties and Yield Behavior of Isotactic Polypropylene under Extension by an Atomistic Modeling Approach”, Korea Polymer J., 8, 224-230 (2000).
10. J. S. Yang, K. Choi, W. H. Jo, “Comparison of gas diffusion in poly[1-(trimethylsilyl)-1-propyne] and poly(dimethylsiloxane) by atomistic modeling”, Macromol. Theory Simul., 9, 287-291 (2000).
11. J. S. Yang, H. J. Kim, Y. S. Kang, W. H. Jo “An analysis of pervaporation of methanol/MTBE mixtures through the cellulose acetate and cellulose triacetate membranes”, Polymer, 39, 1381-1385 (1998).