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ORCIDDean J. Tantillo
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Journal Articles
- 2022
[j8]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): 1979-1987 (2022)- [j7]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): 4403-4410 (2022) - 2020
- [j6]Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn:
Predicting in silico electron ionization mass spectra using quantum chemistry. J. Cheminformatics 12(1): 63 (2020) - 2016
- [j5]Daniela E. Ortega, Quynh Nhu N. Nguyen, Dean J. Tantillo, Alejandro Toro-Labbé:
The catalytic effect of the NH3 base on the chemical events in the caryolene-forming carbocation cascade. J. Comput. Chem. 37(12): 1068-1081 (2016) - 2014
- [j4]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): 1057-1067 (2014) - 2010
- [j3]Selina C. Wang, Peter A. Beal, Dean J. Tantillo:
Covalent hydration energies for purine analogs by quantum chemical methods. J. Comput. Chem. 31(4): 721-725 (2010) - 2003
- [j2]Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, Kendall 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): 98-110 (2003) - 2002
- [j1]Dean J. Tantillo, Kendall N. Houk:
Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis. J. Comput. Chem. 23(1): 84-95 (2002)
Coauthor Index
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