Publications by authors named "Maria Fatima Lucas"

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A computational pipeline for predicting distal hotspots in an artificial enzyme.
Mahdi Hassankalhori, Fabrizio Casilli, Ferran Sancho, Juan Torras, Maria Fátima Lucas

Int J Biol Macromol· September 2025

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Distal mutations enhance efficiency of free and immobilized NOV1 dioxygenase for vanillin synthesis.
Mario De Simone, Lur Alonso-Cotchico, Maria Fátima Lucas, Vânia Brissos, Lígia O Martins

J Biotechnol· August 2024

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Assessment of Biomolecule Reactivity with Leachables.
Candice Johnson, Douglas Kiehl, Piet Christiaens, Ferran Sancho Jodar, Ruud Cuyvers, Maria Fátima Lucas

PDA J Pharm Sci Technol· June 2024

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Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases.
Vânia Brissos, Patrícia T Borges, Ferran Sancho, Maria Fátima Lucas, Carlos Frazão

J Biol Inorg Chem· April 2024

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Correction: Analysis of Poly(ethylene terephthalate) degradation kinetics of evolved IsPETase variants using a surface crowding mode.
En Ze Linda Zhong-Johnson, Ziyue Dong, Christopher T Canova, Francesco Destro, Marina Cañellas, Maria Fátima Lucas

J Biol Chem· April 2024

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Analysis of Poly(ethylene terephthalate) degradation kinetics of evolved IsPETase variants using a surface crowding model.
En Ze Linda Zhong-Johnson, Ziyue Dong, Christopher T Canova, Francesco Destro, Marina Cañellas, Maria Fátima Lucas

J Biol Chem· March 2024

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Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
André Taborda, Tomás Frazão, Miguel V Rodrigues, Xavier Fernández-Luengo, Ferran Sancho, Maria Fátima Lucas

Nat Commun· November 2023

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Enzyme immobilization studied through molecular dynamic simulations.
Nicholus Bhattacharjee, Lur Alonso-Cotchico, Maria Fátima Lucas

Front Bioeng Biotechnol· June 2023

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Rationally Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin.
Mario De Simone, Laura Alvigini, Lur Alonso-Cotchico, Vânia Brissos, Jonatan Caroli, Maria Fátima Lucas

Biochemistry· January 2023

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Corrigendum to "Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase" Comput Struct Biotechnol J, 20 (2022), 3899-3910.
Patrícia T Borges, Diogo Silva, Tomás F D Silva, Vânia Brissos, Marina Cañellas, Maria Fátima Lucas

Comput Struct Biotechnol J· January 2023

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Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Patrícia T Borges, Diogo Silva, Tomás F D Silva, Vânia Brissos, Marina Cañellas, Maria Fátima Lucas

Comput Struct Biotechnol J· July 2022

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Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase.
Vânia Brissos, Patrícia T Borges, Reyes Núñez-Franco, Maria Fátima Lucas, Carlos Frazão

ACS Catal· May 2022

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Computational Enzyme Design at Zymvol.
Emanuele Monza, Victor Gil, Maria Fatima Lucas

Methods Mol Biol· January 2022

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Kauniolide synthase is a P450 with unusual hydroxylation and cyclization-elimination activity.
Qing Liu, Arman Beyraghdar Kashkooli, David Manzano, Irini Pateraki, Lea Richard, Maria Fátima Lucas

Nat Commun· November 2018

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Oxidoreductases on their way to industrial biotransformations.
Angel T Martínez, Francisco J Ruiz-Dueñas, Susana Camarero, Ana Serrano, Dolores Linde, Maria Fátima Lucas

Biotechnol Adv· November 2017

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The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths.
Gudrun Gygli, Maria Fátima Lucas, Victor Guallar, Willem J H van Berkel

PLoS Comput Biol· October 2017

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Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design.
Maria Fátima Lucas, Emanuele Monza, Lise J Jørgensen, Heidi A Ernst, Klaus Piontek

J Chem Theory Comput· March 2017

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New Monte Carlo Based Technique To Study DNA-Ligand Interactions.
Israel Cabeza de Vaca, Maria Fátima Lucas, Victor Guallar

J Chem Theory Comput· December 2015

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Atomic picture of ligand migration in toluene 4-monooxygenase.
Ali Hosseini, Moran Brouk, Maria Fatima Lucas, Fabian Glaser, Ayelet Fishman

J Phys Chem B· January 2015

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Electron transfer in proteins: theory, applications and future perspectives.
Suwipa Saen-Oon, Maria Fatima Lucas, Victor Guallar

Phys Chem Chem Phys· October 2013

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Bioactive fragments synergically involved in the design of new generation Pt(ii) and Pd(ii)-based anticancer compounds.
Daniela Pucci, Anna Bellusci, Sergio Bernardini, Rossana Bloise, Alessandra Crispini, Maria Fatima Lucas

Dalton Trans· November 2008

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