Dean J. Tantillo

发表

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

Gert Vriend, Valère Lounnas, Henry B. Wedler, 2014, Journal of Computer-Aided Molecular Design.

Predicting in silico electron ionization mass spectra using quantum chemistry

Oliver Fiehn, Tobias Kind, Dean J. Tantillo, 2020, Journal of Cheminformatics.

Transition state docking: A probe for noncovalent catalysis in biological systems. Application to antibody‐catalyzed ester hydrolysis

Dean J. Tantillo, K. N. Houk, K. Houk, 2002, J. Comput. Chem..

Covalent hydration energies for purine analogs by quantum chemical methods

Dean J. Tantillo, Selina C. Wang, Peter A. Beal, 2010, J. Comput. Chem..

The value of safety and practicality: Recommendations for training disabled students in the sciences with a focus on blind and visually impaired students in chemistry laboratories

Julian D. Shaw, Debbie M. Decker, Henry B. Wedler, 2016 .

Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5‐nitro‐3‐carboxybenzisoxazole

Yunfeng Hu, Donald Hilvert, Kinya Hotta, 2003, J. Comput. Chem..

Predictor - Predictive Reaction Design via Informatics, Computation and Theories of Reactivity

David Wild, Dean J. Tantillo, Uttam K. Tambar, 2017 .

Potent s-cis-locked bithiazole correctors of DeltaF508 cystic fibrosis transmembrane conductance regulator cellular processing for cystic fibrosis therapy.

Mark J. Kurth, James C. Fettinger, Dean J. Tantillo, 2008, Journal of medicinal chemistry.

Modulation of inherent dynamical tendencies of the bisabolyl cation via preorganization in epi-isozizaene synthase† †Electronic supplementary information (ESI) available: Movies of representative trajectories, structures of all relevant stationary points, table of electronic and free energies, relat

Dean J. Tantillo, D. Tantillo, Ryan Pemberton, 2015, Chemical science.

Nobody Can See Atoms: Science Camps Highlighting Approaches for Making Chemistry Accessible to Blind and Visually Impaired Students

Christian S. Hamann, Rebecca L. Davis, Henry B. Wedler, 2014 .

Predicting pathways for terpene formation from first principles – routes to known and new sesquiterpenes

Satoshi Maeda, Keiji Morokuma, Dean J. Tantillo, 2014 .

Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry.

Dean J. Tantillo, M. Siebert, D. Tantillo, 2012, Chemical reviews.

Predicting cyclic peptide chemical shifts using quantum mechanical calculations

Dean J. Tantillo, Serge Zaretsky, Andrei K. Yudin, 2014 .

Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes

Henry B. Wedler, Dean J. Tantillo, D. Tantillo, 2015, Molecules.

Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis.

William L. Hase, Dean J. Tantillo, M. Siebert, 2012, Journal of chemical theory and computation.

Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

Dean J. Tantillo, M. Siebert, D. Tantillo, 2012 .

Applied Computational Chemistry for the Blind and Visually Impaired.

Christian S. Hamann, Rebecca L. Davis, Henry B. Wedler, 2012 .