Qishi Du

15 papers Journal 15

Year	Rank	Type	Title / Venue / Authors
2012	J	`jnl`	Empirical formulation and parameterization of cation-π interactions for protein modeling. J. Comput. Chem. Qishi Du, Si-Yu Long, Jian-Zong Meng, Ri-Bo Huang
2012	J	`jnl`	Improving the thermostability of alpha-amylase by combinatorial coevolving-site saturation mutagenesis. BMC Bioinform. Cheng-Hua Wang, Ri-Bo Huang, Bingfang He, Qishi Du
2012	J	`jnl`	Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design. J. Chem. Inf. Model. Qishi Du, Jing Gao, Yu-Tuo Wei, Li-Qin Du, Shu-Qing Wang, Ri-Bo Huang
2009	J	`jnl`	Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design. J. Comput. Chem. Qishi Du, Ri-Bo Huang, Yu-Tuo Wei, Zong-Wen Pang, Li-Qin Du, Kuo-Chen Chou
2008	J	`jnl`	Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR). J. Comput. Chem. Qishi Du, Ri-Bo Huang, Yu-Tuo Wei, Li-Qin Du, Kuo-Chen Chou
2007	J	`jnl`	Peptide reagent design based on physical and chemical properties of amino acid residues. J. Comput. Chem. Qishi Du, Ri-Bo Huang, Yu-Tuo Wei, Cheng-Hua Wang, Kuo-Chen Chou
2006	J	`jnl`	Heuristic molecular lipophilicity potential (HMLP): Lipophilicity and hydrophilicity of amino acid side chains. J. Comput. Chem. Qishi Du, Dapeng Li, Wen-Zhang He, Kuo-Chen Chou
2005	J	`jnl`	Assessment of chemical libraries for their druggability. Comput. Biol. Chem. Suzanne W. Sirois, George E. Hatzakis, Dongqing Wei, Qishi Du, Kuo-Chen Chou
2005	J	`jnl`	Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives. J. Comput. Chem. Qishi Du, Paul G. Mezey, Kuo-Chen Chou
2005	J	`jnl`	Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation. J. Chem. Inf. Model. Qishi Du, Peng-Jun Liu, Paul G. Mezey
2004	J	`jnl`	Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points. J. Chem. Inf. Model. Suzanne W. Sirois, Dongqing Wei, Qishi Du, Kuo-Chen Chou
1998	J	`jnl`	Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters. J. Comput. Aided Mol. Des. Qishi Du, Paul G. Mezey
1997	J	`jnl`	Heuristic lipophilicity potential for computer-aided rational drug design. J. Comput. Aided Mol. Des. Qishi Du, Gustavo A. Arteca, Paul G. Mezey
1996	J	`jnl`	Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution. J. Comput. Chem. Qishi Du, Gustavo A. Arteca
1996	J	`jnl`	Modeling lipophilicity from the distribution of electrostatic potential on a molecular surface. J. Comput. Aided Mol. Des. Qishi Du, Gustavo A. Arteca