Department of Chemistry and Biochemistry

Dr. Hu's Publications

L. Mao, Y. Wang, Y. Liu and X. Hu, J. Molecular Biology  336, 787-807, (2004).
"Molecular Determinants for ATP-Binding in Proteins - A Data Mining and Quantum Chemical Analysis".
 
Y.Wang, L. Mao,and X. Hu, Biophysical Journal  86,3097-3111, (2004).
"Insight into the Structural Stabilization Role of Carotenoids in the Photosystem I: A Quantum Chemical Analysis".
 
D.Hindley, S. Park, K. Shah, L. Wang, Y. Wang, X. Hu, K.M. Shokat, K. Walter, J. M. Sedivy, and K.C. Yeung, FEBS Letters, 556, 26-34, (2004).
"Engineering the serine threonine protein kinase Raf-1 to utilize an orthogonal analogue of ATP substituted at the N6 position".
 
Lisong Mao, Yanli Wang, Yuemin Liu and Xiche Hu, J. Americal Chemical Society, 125, 14216-14217, (2003).
" Multiple intermolecular interaction modes of positively charged residues with adenine in ATP-binding proteins"
 
Lisong Mao, Yanli Wang and Xiche Hu, J. Phys. Chem. B, 107, 3963-3971(2003).
"pi-pi stacking interactions in the peridinin-chlorophyll-protein of Amphidinium carterae".
 
Yanli Wang and Xiche Hu, J. Americal Chemical Society, 124, 8445-8451(2002).
"A Quantum Chemistry Study of Binding Carotenoids in the Bacterial Light-harvesting Complexes".
 
Yanli Wang and Xiche Hu, J. Chem. Phys., 117, 1-4, (2002).
"Quantum Chemical Study of pi-pi Stacking Interactions of the Bacteriochlorophyll Dimer in the Photosynthetic Reaction Center of Rhodobacter sphaeroides".
 
Xiche Hu, Thorsten Ritz, Ana Damjanovic, Felix Autenrieth and Klaus Schulten, Quarterly Reviews of Biophysics, 35, 1-62 (2002).
"Photosynthetic Apparatus of Purple Bacteria".
 
MG. Cory, M.C. Zerner, X. Hu, and K. Schulten, J. Phys. Chem. B, 102, 7640-7650 (1998).
" Electronic Excitations in Aggregates of Bacteriochlorophylls".
 
Xiche Hu and Ana Damjanovic and Thorsten Ritz and Klaus Schulten, Proc. Natl. Acad. Sci. USA, 95,5935 (1998).
"Architecture and Function of the Light Harvesting Apparatus of Purple Bacteria".
 
X.Hu and K. Schulten, Biophysical Journal , 75, 683 (1998).
"A Model for the Light-Harvesting Complex I (B875) of Rhodobacter sphaeroides".
 
Thorsten Ritz and Xiche Hu and Ana Damjanovic and Klaus Schulten, Journal of Luminescence, 76-77, 310 (1998).
"Excitons and Excitation Transfer in the Photosynthetic Unit of Purple Bacteria".
 
X.Hu and K. Schulten, Physics Today, 50, 28 (August, 1997).
"How Nature Harvests Sunlight".
 
X.Hu, T. Ritz, A. Damjanovic and K. Schulten, J. Physical Chemistry B,101, 3854 (1997).
"Pigment Organization and Transfer of Electronic Excitation in the Purple Bacteria".
"Prediction of the Structure of an Integral Membrane Protein - the Light Harvesting Complex II of Rhodospirillum molischianum"
 
X. Hu, D. Xu, K. Hamer, K. Schulten, J. Koepke and H. Michel in Biological Membranes: A Molecular Perspective from Computation and Experiment, K.M. Merz and B. Roux Eds., Cambridge, MA, Birkhauser, 503-533 (1996).
"Knowledge-Based Structure Prediction of the Light Harvesting Complex II of Rhodospirillum molischianum"
 
X. Hu, D. Xu, K. Hamer, K. Schulten, J. Koepke and H. Michel in Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, P.M. Pardalos, D. Shalloway and G. Xue Eds., Providence, RI, American Mathematical Society, 97-122 (1996).

J. Koepke, X. Hu, C. Muenke, K. Schulten, and H. Michel, Structure, 4, 581 (1996).
"The Crystal Structure of the Light Harvesting Complex II (B800-850) from Rhodospirillum molischianum".

X. Hu, D. Xu, K. Hamer, K. Schulten, J. Koepke and H. Michel, Protein Science, 4, 1670 (1995).
"Predicting the Structure of the Light Harvesting Complex II of Rhodospirillum molischianum".
 
Xiche Hu & Craig C. Martens, Z. Phys. D - Atoms, Molecules and Clusters 29, 139 (1994).
"Analysis of Dissociation Times and Fragmentation Patterns in the Decomposition of Highly Excited Clusters".
 
Xiche Hu & Craig C. Martens, Journal of Chemical Physics, 99, 9532(1993).
"Classical Trajectory Simulation of the Cluster-Atom Association Reaction I-Arn + I --> I2 + nAr. II. Diffusion of Captured Iodine and Evaporative Cooling of I2"
 
Xiche Hu & Craig C. Martens, Journal of Chemical Physics, 99, 2654 (1993).
"Atom-Cluster Interaction Potential and Thermal Collision Rates".
 
Xiche Hu & Craig C. Martens, Journal of Chemical Physics, 98, 8551 (1993).
"Classical Trajectory Simulation of the Cluster-Atom Association Reaction I-Arn + I --> I2 + nAr. I. Capture of Iodine by the I(Ar)12 Cluster".
 
Xiche Hu & W.L. Hase, Journal of Chemical Physics, 98, 7826 (1993).
"Dependence of the Chemical Dynamics of Intercluster Association Reactions on theStrength of the Solute-Solvent Intermolecular Potential".
 
Xiche Hu & Craig. C. Martens, Journal of Chemical Physics, 97, 8805 (1992).
"The Role of Microscopic Solvation in the Association Reaction I-Ar12 + I".
 
Xiche Hu & W.L. Hase, Z. Phys. D - Atoms, Molecules and Clusters, 25, 57 (1992).
"Effect of Solvation on the Dynamics of H + CH3 Association".
 
Xiche Hu & W.L. Hase, Journal of Physical Chemistry, 96, 7535 (1992).
"Use of Micro-clusters to Simulate Cage, Trapping, and Chaperon Effects in Association Reactions".
 
Xiche Hu & W.L. Hase, Journal of Chemical Physics, 95, 8073 (1991).
"Modification of the Duchovic-Hase-Schlegel Potential Energy Function For H + CH3 <=> CH4 Comparison of Canonical Variational Transition State Theory, Trajectory, and Experimental Association Rate Constant".
 
Xiche Hu , W.L. Hase, T. Pirraglia, J. of Computational Chemistry, 12, 1014 (1991).
"Vectorization of the General Monte-Carlo Classical Trajectory Program VENUS".
 
Xiche Hu & W.L. Hase, Journal of Physical Chemistry, 93, 6029 (1989).
"Properties of Variational Transition State Theory for Association Reactions without Potential Energy Barriers".
 
W.L. Hase & Xiche Hu, Chemical Physics Letters, 156, 115 (1989).
"Semiempirical Canonical Variational Transition State Theory Model for Association Reactions".
 
Xiche Hu & W.L Hase, Journal of Physical Chemistry, 92, 4040 (1988).
"Effect of Anharmonicity on Intermolecular Energy Transfer from Highly Vibrationally Excited Molecules".
 
Xiche Hu, Yao Luan, Lu Zhongzhi, Chen Yongyan, Journal of the Chinese Society of Corrosion and Protection, 6, 32 (1986).
"Electrode Impedance Measurement by Time Domain Method. II. Experimental Results and Discussion".
 
Xiche Hu, Yao Luan, Zhang Xiaowu, Lu Zhongzhi, Journal of the Chinese Society of Corrosion and Protection, 6, 22 (1986).
"Electrode Impedance Measurement by Time Domain Method. I. Principle and Measurement Device".
Last Updated: 6/26/15