publications

publications by categories in reversed chronological order. generated by jekyll-scholar.

2025

  1. Engineering of Conserved Sequence Motif 1 Residues in Halohydrin Dehalogenase HheC Simultaneously Enhances Activity, Stability, and Enantioselectivity
    Sophie Staar, Miquel Estévez-Gay, Felix Kaspar, and 2 more authors
    ACS catalysis, 2025

2024

  1. A dynamic loop in halohydrin dehalogenase HheG regulates activity and enantioselectivity in epoxide ring opening
    Marcel Staar, Lina Ahlborn, Miquel Estévez-Gay, and 3 more authors
    ACS catalysis, 2024

2023

  1. Computational exploration and design of HHDH variants with novel synthetically useful functionalities
    Miquel Estévez-Gay and others
    2023

2022

  1. Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach
    Guillem Casadevall, Cristina Duran, Miquel Estévez-Gay, and 1 more author
    Protein Science, 2022

2021

  1. Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2
    Julia Wessel, Giovanna Petrillo, Miquel Estevez-Gay, and 8 more authors
    The FEBS Journal, 2021
  2. SBMOpenMM: a builder of structure-based models for OpenMM
    Martin Floor, Kengjie Li, Miquel Estévez-Gay, and 5 more authors
    Journal of Chemical Information and Modeling, 2021
  3. Structure-Based Model (SBM) simulations for the folding process of the FoxP1 protein using the SBMOpenMM library
    J Villà-Freixa, Luis Agulló, and Miquel Estevez Gay
    2021

2020

  1. Enzyme conformation influences the performance of lipase-powered nanomotors
    Lei Wang, Marzia Marciello, Miquel Estévez-Gay, and 7 more authors
    Angewandte Chemie, 2020
  2. Conformational landscapes of halohydrin dehalogenases and their accessible active site tunnels
    Miquel Estévez-Gay, Javier Iglesias-Fernández, and Sı́lvia Osuna
    Catalysts, 2020