Publicaciones en colaboración con investigadores/as de University of California System (14)

2017

  1. Applying molecular dynamics simulations to engineer transaminase enzymes

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

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

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

2016

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

    Abstracts of papers of the american chemical society

  2. 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. Mechanism of carbocycles formation by intramolecular conjugate displacement

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  3. Pyridine N-oxide vs. pyridine substrates for Rh(III)-catalyzed C-H bond functionalization

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  4. Thermodynamic evaluation of aromatic CH/p interactions and rotational etropy in a molecular rotor

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

2014

  1. DFT studies on Rh-catalyzed synthesis of naphthyridinone derivatives by C-H functionalization of pyridine N-oxide substrates

    Abstracts of Papers of the American Chemical Society, Vol. 248

  2. New twist on the sterics vs. torsional strain model for facial selectivity of nucleophilic addition to cyclic ketones

    Abstracts of Papers of the American Chemical Society, Vol. 248

  3. Origins of stereoselectivity in transannular Michael additions

    Abstracts of Papers of the American Chemical Society, Vol. 248

2013

  1. Computational insights into the direct displacement of alkoxy groups of vinylogous esters by Grignard reagents

    Abstracts of Papers of the American Chemical Society, Vol. 245

  2. Long scale dynamics unveil the structural basis of improved catalysis achieved by directed evolution on LovD mutants

    Abstracts of Papers of the American Chemical Society, Vol. 245

2012

  1. Origins of stereoselectivity in the organocatalyzed Diels-Alder reaction between 3-vinyl indole and activated methyleneindolinones

    Abstracts of Papers of the American Chemical Society, Vol. 243