Yun Xiang

发表

Electrostatic basis for enzyme catalysis.

A. Warshel, P. K. Sharma, Mitsunori Kato, 2006, Chemical reviews.

New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy.

John Z H Zhang, J. H. Zhang, Yun Xiang, 2003, The journal of physical chemistry. B.

Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex.

John Z H Zhang, J. H. Zhang, Yun Xiang, 2004, The Journal of chemical physics.

Quantum computational analysis for drug resistance of HIV‐1 reverse transcriptase to nevirapine through point mutations

Xiao He, Ye Mei, J. H. Zhang, 2005, Proteins.

Molecular dynamics simulation and computational two-dimensional infrared spectroscopic study of model amyloid β-peptide oligomers.

J. H. Zhang, Yun Xiang, Jun Xu, 2013, The journal of physical chemistry. A.

Folding dynamics of a small protein at room temperature via simulated coherent two-dimensional infrared spectroscopy.

J. H. Zhang, Yun Xiang, Lili Duan, 2010, Physical chemistry chemical physics : PCCP.

Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta.

Arieh Warshel, Samuel H. Wilson, Jan Florián, 2007, Biochemistry.

Exploring the role of large conformational changes in the fidelity of DNA polymerase β

Samuel H. Wilson, A. Warshel, W. Beard, 2007, Proteins.

Simulating the effect of DNA polymerase mutations on transition-state energetics and fidelity: evaluating amino acid group contribution and allosteric coupling for ionized residues in human pol beta.

A. Warshel, Yun Xiang, J. Florián, 2006, Biochemistry.

Quantum study of mutational effect in binding of efavirenz to HIV‐1 RT

Yun Xiang, Xiao He, Da W. Zhang, 2005, Proteins.

What are the roles of substrate-assisted catalysis and proximity effects in peptide bond formation by the ribosome?

A. Warshel, P. K. Sharma, Mitsunori Kato, 2005, Biochemistry.

A mixed quantum-classical semirigid vibrating rotor target approach to methane dissociation on Ni surface

J. H. Zhang, Yun Xiang, 2003 .

Fully quantum mechanical energy optimization for protein–ligand structure

John Z. H. Zhang, Yun Xiang, Da W. Zhang, 2004, J. Comput. Chem..

Semirigid vibrating rotor target model for CH4 dissociation on a Ni(111) surface

J. H. Zhang, Yun Xiang, Dunyou Wang, 2002 .

Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.

Arieh Warshel, A. Warshel, Yun Xiang, 2008, The journal of physical chemistry. B.