Qishi Du
According to our database1,
Qishi Du
authored at least 15 papers
between 1996 and 2012.
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Bibliography
2012
Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design.
J. Chem. Inf. Model., 2012
Empirical formulation and parameterization of cation-π interactions for protein modeling.
J. Comput. Chem., 2012
Improving the thermostability of alpha-amylase by combinatorial coevolving-site saturation mutagenesis.
BMC Bioinform., 2012
2009
Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design.
J. Comput. Chem., 2009
2008
Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR).
J. Comput. Chem., 2008
2007
Peptide reagent design based on physical and chemical properties of amino acid residues.
J. Comput. Chem., 2007
2006
Heuristic molecular lipophilicity potential (HMLP): Lipophilicity and hydrophilicity of amino acid side chains.
J. Comput. Chem., 2006
2005
Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation.
J. Chem. Inf. Model., 2005
Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives.
J. Comput. Chem., 2005
2004
J. Chem. Inf. Model., 2004
1998
Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters.
J. Comput. Aided Mol. Des., 1998
1997
J. Comput. Aided Mol. Des., 1997
1996
Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution.
J. Comput. Chem., 1996
Modeling lipophilicity from the distribution of electrostatic potential on a molecular surface.
J. Comput. Aided Mol. Des., 1996