Modeling lipophilicity from the distribution of electrostatic potential on a molecular surface. - Qishi Du; Gustavo A. Arteca (J. Comput. Aided Mol. Des., 1996)

Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution. - Qishi Du; Gustavo A. Arteca (J. Comput. Chem., 1996)

Heuristic lipophilicity potential for computer-aided rational drug design. - Qishi Du; Gustavo A. Arteca; Paul G. Mezey (J. Comput. Aided Mol. Des., 1997)

Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters. - Qishi Du; Paul G. Mezey (J. Comput. Aided Mol. Des., 1998)

Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points. - Suzanne W. Sirois; Dongqing Wei; Qishi Du; Kuo-Chen Chou (J. Chem. Inf. Model., 2004)

Assessment of chemical libraries for their druggability. - Suzanne W. Sirois; George E. Hatzakis; Dongqing Wei; Qishi Du; Kuo-Chen Chou (Comput. Biol. Chem., 2005)

Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives. - Qishi Du; Paul G. Mezey; Kuo-Chen Chou (J. Comput. Chem., 2005)

Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation. - Qishi Du; Peng-Jun Liu; Paul G. Mezey (J. Chem. Inf. Model., 2005)

Heuristic molecular lipophilicity potential (HMLP): Lipophilicity and hydrophilicity of amino acid side chains. - Qishi Du; Dapeng Li; Wen-Zhang He; Kuo-Chen Chou (J. Comput. Chem., 2006)

Peptide reagent design based on physical and chemical properties of amino acid residues. - Qishi Du; Ri-Bo Huang; Yu-Tuo Wei; Cheng-Hua Wang; Kuo-Chen Chou (J. Comput. Chem., 2007)

Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR). - Qishi Du; Ri-Bo Huang; Yu-Tuo Wei; Li-Qin Du; Kuo-Chen Chou (J. Comput. Chem., 2008)

Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design. - Qishi Du; Ri-Bo Huang; Yu-Tuo Wei; Zong-Wen Pang; Li-Qin Du; Kuo-Chen Chou (J. Comput. Chem., 2009)

Improving the thermostability of alpha-amylase by combinatorial coevolving-site saturation mutagenesis. - Cheng-Hua Wang; Ri-Bo Huang; Bingfang He; Qishi Du (BMC Bioinform., 2012)

Empirical formulation and parameterization of cation-π interactions for protein modeling. - Qishi Du; Si-Yu Long; Jian-Zong Meng; Ri-Bo Huang (J. Comput. Chem., 2012)

Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design. - Qishi Du; Jing Gao; Yu-Tuo Wei; Li-Qin Du; Shu-Qing Wang; Ri-Bo Huang (J. Chem. Inf. Model., 2012)