Una metodología computacional multi-escala para la modificación selectiva de proteínas y la reprogamación de enzimas.

Artículo

1. Efficient and irreversible antibody–cysteine bioconjugation using carbonylacrylic reagents 2019

   Nature Protocols

2. Elusive Dehydroalanine Derivatives with Enhanced Reactivity 2019

   ChemBioChem

3. Tn Antigen Mimics by Ring-Opening of Chiral Cyclic Sulfamidates with Carbohydrate C1- S- and C1- O-Nucleophiles 2018

   Journal of Organic Chemistry

4. Oxygen by Carbon Replacement at the Glycosidic Linkage Modulates the Sugar Conformation in Tn Antigen Mimics 2018

   ACS Omega

5. Cell-Penetrating Peptides Containing Fluorescent d-Cysteines 2018

   Chemistry - A European Journal

6. Chemo- and Regioselective Lysine Modification on Native Proteins 2018

   Journal of the American Chemical Society

7. Vinyl Ether/Tetrazine Pair for the Traceless Release of Alcohols in Cells 2017

   Angewandte Chemie International

8. A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst 2017

   Journal of the American Chemical Society

9. Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies 2017

   ACS Sustainable Chemistry and Engineering

10. Multiple Mechanisms for the Thermal Decomposition of Metallaisoxazolin-5-ones from Computational Investigations 2017

    Journal of Organic Chemistry

11. 1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides 2017

    Journal of Organic Chemistry

12. Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation 2017

    Journal of the American Chemical Society

13. A Minimal, Unstrained S-Allyl Handle for Pre-Targeting Diels–Alder Bioorthogonal Labeling in Live Cells 2016

    Angewandte Chemie International

14. Tn Antigen Mimics Based on sp2-Iminosugars with Affinity for an anti-MUC1 Antibody 2016

    Organic Letters

15. Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition 2016

    Organic Letters

16. Finding the Right Candidate for the Right Position: A Fast NMR-Assisted Combinatorial Method for Optimizing Nucleic Acids Binders 2016

    Journal of the American Chemical Society

17. A proactive role of water molecules in acceptor recognition by protein O-fucosyltransferase 2 2016

    Nature Chemical Biology

18. Computations Reveal That Electron-Withdrawing Leaving Groups Facilitate Intramolecular Conjugate Displacement Reactions by Negative Hyperconjugation 2016

    Journal of Organic Chemistry

19. Stoichiometric and irreversible cysteine-selective protein modification using carbonylacrylic reagents 2016

    Nature Communications