Dean J. Tantillo

According to our database, Dean J. Tantillo authored at least 8 papers between 2002 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics.

Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn

J. Chem. Inf. Model., 2022

Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling.

Phillip W. Gingrich, Justin B. Siegel, Dean J. Tantillo

J. Chem. Inf. Model., 2022

2020

Predicting in silico electron ionization mass spectra using quantum chemistry.

Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn

J. Cheminformatics, 2020

2016

The catalytic effect of the NH₃ base on the chemical events in the caryolene-forming carbocation cascade.

Daniela E. Ortega, Quynh Nhu N. Nguyen, Dean J. Tantillo, Alejandro Toro-Labbé

J. Comput. Chem., 2016

2014

Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol.

Valère Lounnas, Henry B. Wedler, Timothy Newman, Gijs Schaftenaar, Jason G. Harrison, Gabriella Nepomuceno, Ryan Pemberton, Dean J. Tantillo, Gert Vriend

J. Comput. Aided Mol. Des., 2014

2010

Covalent hydration energies for purine analogs by quantum chemical methods.

Selina C. Wang, Peter A. Beal, Dean J. Tantillo

J. Comput. Chem., 2010

2003

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

2002

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