Dean J. Tantillo

Publication Activity (10 Years)

Years Active: 2002-2022
Publications (10 Years): 4

Top Topics

Regression Model

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Phillip W. Gingrich, Justin B. Siegel, Dean J. Tantillo
Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling. J. Chem. Inf. Model. 62 (8) (2022)
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics. J. Chem. Inf. Model. 62 (18) (2022)
Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn
Predicting in silico electron ionization mass spectra using quantum chemistry. J. Cheminformatics 12 (1) (2020)
Daniela E. Ortega, Quynh Nhu N. Nguyen, Dean J. Tantillo, Alejandro Toro-Labbé
base on the chemical events in the caryolene-forming carbocation cascade. J. Comput. Chem. 37 (12) (2016)
Valère Lounnas, Henry B. Wedler, Timothy Newman, Gijs Schaftenaar, Jason G. Harrison, Gabriella Nepomuceno, Ryan Pemberton, Dean J. Tantillo, Gert Vriend
Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol. J. Comput. Aided Mol. Des. 28 (11) (2014)
Selina C. Wang, Peter A. Beal, Dean J. Tantillo
Covalent hydration energies for purine analogs by quantum chemical methods. J. Comput. Chem. 31 (4) (2010)
Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, K. N. Houk, Kinya Hotta, Donald Hilvert
Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. J. Comput. Chem. 24 (1) (2003)
Dean J. Tantillo, K. N. Houk
Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis. J. Comput. Chem. 23 (1) (2002)