Fangqiang Zhu

Email: fzhu@wag.caltech.edu

Current Position:

Publications:

• Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist. Youyong Li, Fangqiang Zhu, Nagarajan Vaidehi, William A. Goddard III, Felix Sheinerman, Stephan Reiling, Isabelle Morize, Lan Mu, Keith Harris, Ali Ardati, and Abdelazize Laoui. Journal of the American Chemical Society, 129:10720-10731, 2007.
• Recursive partitioning algorithm for common pharmacophore identification. Fangqiang Zhu and Dimitris K. Agrafiotis. Journal of Chemical Information and Modeling, 47:1619-1625, 2007. [PDF]
• Conformational sampling of bioactive molecules: a comparative study. Dimitris K. Agrafiotis, Alan Gibbs, Fangqiang Zhu, Sergei Izrailev, and Eric Martin. Journal of Chemical Information and Modeling, 47:1067-1086, 2007.
• Self-organizing superimposition algorithm for conformational sampling. Fangqiang Zhu and Dimitris K. Agrafiotis. Journal of Computational Chemistry, 28:1234-1239, 2007. [PDF]
• Charge delocalization in proton channels. I. The aquaporin channels and proton blockage. Hanning Chen, Boaz Ilan, Yujie Wu, Fangqiang Zhu, Klaus Schulten, and Gregory A. Voth. Biophysical Journal, 92:46-60, 2007.
• Conformational boosting. Dimitris K. Agrafiotis, Alan Gibbs, Fangqiang Zhu, Sergei Izrailev, and Eric Martin. Australian Journal of Chemistry, 59:874-878, 2006. [PDF]
• A distance geometry heuristic for expanding the range of geometries sampled during conformational search. Sergei Izrailev, Fangqiang Zhu, and Dimitris K. Agrafiotis. Journal of Computational Chemistry, 27:1962-1969, 2006. [PDF]
• Kinetic theory and simulation of single-channel water transport. Emad Tajkhorshid, Fangqiang Zhu, and Klaus Schulten. In S. Yip, editor, Handbook of Materials Modeling, Vol. I: Methods and Models, pp. 1797-1822. Springer, Netherlands, 2005.
• Collective diffusion model for water permeation through microscopic channels. Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Physical Review Letters, 93:224501, 2004.
• Theory and simulation of water permeation in aquaporin-1. Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 86:50-57, 2004.
• Large scale simulation of protein mechanics and function. Emad Tajkhorshid, Aleksij Aksimentiev, Ilya Balabin, Mu Gao, Barry Isralewitz, James C. Phillips, Fangqiang Zhu, and Klaus Schulten. In Frederic M. Richards, David S. Eisenberg, and John Kuriyan, editors, Advances in Protein Chemistry, volume 66, pages 195-247. Elsevier Academic Press, New York, 2003.
• Water and proton conduction through carbon nanotubes as models for biological channels. Fangqiang Zhu and Klaus Schulten. Biophysical Journal, 85:236-244, 2003.
• Pressure-induced water transport in membrane channels studied by molecular dynamics. Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 83:154-160, 2002.
• Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer. Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. FEBS Letters, 504:212-218, 2001.

Education:

• Ph.D., Physics, University of Illinois at Urbana-Champaign, 2004.
  (Advisor: Klaus Schulten)
• Master of Computer Science, University of Illinois at Urbana-Champaign, 2003.
• M.S., Physics, Tsinghua University, China, 1999.
• B.S., Physics, Tsinghua University, China, 1997.