Dean J. Tantillo
Orcid: 0000-0002-2992-8844
According to our database1,
Dean J. Tantillo
authored at least 10 papers
between 2002 and 2024.
Collaborative distances:
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Bibliography
2024
Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular Dynamics.
J. Chem. Inf. Model., 2024
Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling.
J. Chem. Inf. Model., 2024
2022
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics.
J. Chem. Inf. Model., 2022
Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling.
J. Chem. Inf. Model., 2022
2020
J. Cheminformatics, 2020
2016
The catalytic effect of the NH<sub>3</sub> base on the chemical events in the caryolene-forming carbocation cascade.
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.
J. Comput. Aided Mol. Des., 2014
2010
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.
J. Comput. Chem., 2003
2002
Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis.
J. Comput. Chem., 2002