JA
Publications
- Identification of novel thiadiazin derivatives as potentially selective inhibitors towards trypanothione reductase from Trypanosoma cruzi by molecular docking using the numerical index poses ratio Pr and the binding mode analysis
- Merging dual photoredox/cobalt catalysis and boronic acid (derivatives) activation for the Minisci reaction
- Origins of the Reactivity in 1,3-Dipolar Cycloadditions of Acyl Isocyanide Ylides
- Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
- Repurposing quantum chemical descriptor datasets for on-the-fly generation of informative reaction representations: application to hydrogen atom transfer reactions
- Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties