Publicacións en colaboración con investigadores/as de University of California Los Angeles (51)

2022

  1. Deconvoluting the Directed Evolution Pathway of Engineered Acyltransferase LovD

    ChemCatChem, Vol. 14, Núm. 4

2017

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

    Journal of Organic Chemistry, Vol. 82, Núm. 10, pp. 5096-5101

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

    Journal of the American Chemical Society, Vol. 139, Núm. 38, pp. 13456-13465

  3. Applying molecular dynamics simulations to engineer transaminase enzymes

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

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

    Journal of Organic Chemistry, Vol. 82, Núm. 16, pp. 8438-8443

  5. Origins of the catalytic proficiency of cytochrome-based artificial metalloenzymes

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

2016

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

    Nature Chemical Biology, Vol. 12, Núm. 4, pp. 240-246

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

    Journal of Organic Chemistry, Vol. 81, Núm. 10, pp. 4290-4294

  3. Impact of directed evolution on flexible binding domains explained by molecular dynamics

    Abstracts of papers of the american chemical society

  4. Origins of stereoselectivity in evolved ketoredutases

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

2015

  1. Active site structure and dynamics in designed and evolved enzymes

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Enantioselective synthesis of dialkylated N-heterocycles by palladium-catalyzed allylic alkylation

    Organic Letters, Vol. 17, Núm. 5, pp. 1082-1085

  3. Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations

    Nature chemistry, Vol. 7, Núm. 8, pp. 653-660

  4. Evolution of a Unified Strategy for Complex Sesterterpenoids: Progress toward Astellatol and the Total Synthesis of (-)-Nitidasin

    Chemistry - A European Journal, Vol. 21, Núm. 39, pp. 13646-13665

  5. Mechanism of carbocycles formation by intramolecular conjugate displacement

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  6. Modulating weak interactions for molecular recognition: A dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water

    Angewandte Chemie International, Vol. 54, Núm. 14, pp. 4344-4348

  7. Molecular Dynamics of the Diels-Alder Reactions of Tetrazines with Alkenes and N-2 Extrusions from Adducts

    Journal of the American Chemical Society, Vol. 137, Núm. 14, pp. 4749-4758

  8. Molecular dynamics explorations of active site structure in designed and evolved enzymes

    Accounts of Chemical Research, Vol. 48, Núm. 4, pp. 1080-1089

  9. N-type conjugated polymer-enabled selective dispersion of semiconducting carbon nanotubes for flexible CMOS-like circuits

    Advanced Functional Materials, Vol. 25, Núm. 12, pp. 1837-1844

  10. Origins of stereoselectivity in evolved ketoreductases

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 112, Núm. 51, pp. E7065-E7072