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Calculating Interaction Energies Using First Principle Theories: Consideration of Basis Set Superposition Error and Fragment Relaxation (2007)

Kirschner, Karl N. ; Sorensen, Jennifer B. ; Bowen, J. Phillip

Binding free energy calculation for duocarmycin/DNA complex based on the QPLD-derived partial charge model (2007)

Zhong, Haizhen ; Kirschner, Karl N. ; Lee, Moses ; Bowen, J. Phillip

Density functional and ab initio studies on N-acetyl-duocarmycin SA: insight into its DNA interaction properties (2000)

Kirschner, Karl N. ; Lee, Moses ; Stanley, Robert C. ; Bowen, J.Phillip

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