Molecular Modeling: Principles and Applications By Andrew R. Leach. Addison Wesley Longman Limited: Essex, England, 1996, 595 pp. ISBN 0-582-23933-8. - Jiangang Chen; Kendall N. Houk (J. Chem. Inf. Comput. Sci., 1998)

Steroid binding by antibodies and artificial receptors: Exploration of theoretical methods to determine the origins of binding affinities and specificities. - Sandra Handschuh; Bernd Goldfuss; Jiangang Chen; Johann Gasteiger; Kendall N. Houk (J. Comput. Aided Mol. Des., 2000)

Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis. - Dean J. Tantillo; Kendall N. Houk (J. Comput. Chem., 2002)

Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. - Gregori Ujaque; Dean J. Tantillo; Yunfeng Hu; Kendall N. Houk; Kinya Hotta; Donald Hilvert (J. Comput. Chem., 2003)

The existence of secondary orbital interactions. - Chaitanya S. Wannere; Ankan Paul; Rainer Herges; Kendall N. Houk; Henry F. Schaefer III; Paul von Ragué Schleyer (J. Comput. Chem., 2007)

Theoretical enzyme design using the Kepler scientific workflows on the Grid. - Jianwu Wang 001; Prakashan Korambath; Seonah Kim; Scott A. Johnson; Kejian Jin; Daniel Crawl; Ilkay Altintas; Shava Smallen; Bill Labate; Kendall N. Houk (ICCS, 2010)

Facilitating e-Science Discovery Using Scientific Workflows on the Grid. - Jianwu Wang 001; Prakashan Korambath; Seonah Kim; Scott A. Johnson; Kejian Jin; Daniel Crawl; Ilkay Altintas; Shava Smallen; Bill Labate; Kendall N. Houk (Guide to e-Science, 2011)

Schleyer hyperconjugative aromaticity and Diels-Alder reactivity of 5-substituted cyclopentadienes. - Brian J. Levandowski; Lufeng Zou; Kendall N. Houk (J. Comput. Chem., 2016)

autoDIAS: a python tool for an automated distortion/interaction activation strain analysis. - Dennis Svatunek; Kendall N. Houk (J. Comput. Chem., 2019)

Periselectivity and ambimodal transition states in cycloadditions of tetrachloro-o-benzoquinone with 6,6-dimethylfulvene. - Ruirui Su; Xue He; Kendall N. Houk; Qianqian Lu; Fang Liu (J. Comput. Chem., 2023)