The Unexplored Importance of Fleeting Chiral Intermediates in Enzyme-Catalyzed Reactions

por Reetz, Manfred T., Garcia-Borràs, Marc
Publicado 2021

Changes in Protonation States of In-Pathway Residues can Alter Ligand Binding Pathways Obtained From Spontaneous Binding Molecular Dynamics Simulations

por Girame, Helena, Garcia-Borràs, Marc, Feixas, Ferran
Publicado 2022

Computational tools for the evaluation of laboratory-engineered biocatalysts

por Romero-Rivera, Adrian, Garcia-Borràs, Marc, Osuna, Sílvia
Publicado 2017

Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium

por Serrano-Hervás, Eila, Garcia-Borràs, Marc, Osuna, Sílvia
Publicado 2017

Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity

por Romero-Rivera, Adrian, Garcia-Borràs, Marc, Osuna, Sílvia
Publicado 2017

Computational Protocol to Understand P450 Mechanisms and Design of Efficient and Selective Biocatalysts

por Caddell Haatveit, Kersti, Garcia-Borràs, Marc, Houk, Kendall N.
Publicado 2019

Enzymatic Control over Reactive Intermediates Enables Direct Oxidation of Alkenes to Carbonyls by a P450 Iron-Oxo Species

por Soler, Jordi, Gergel, Sebastian, Klaus, Cindy, Hammer, Stephan C., Garcia-Borràs, Marc
Publicado 2022

Accessing Chemo- and Regioselective Benzylic and Aromatic Oxidations by Protein Engineering of an Unspecific Peroxygenase

por Knorrscheidt, Anja, Soler, Jordi, Hünecke, Nicole, Püllmann, Pascal, Garcia-Borràs, Marc, Weissenborn, Martin J.
Publicado 2021

On the regioselectivity of the Diels–Alder cycloaddition to C(60) in high spin states

por El Bakouri, Ouissam, Garcia-Borràs, Marc, Girón, Rosa M., Filippone, Salvatore, Martín, Nazario, Solà, Miquel
Publicado 2018

Selective Biocatalytic N‐Methylation of Unsaturated Heterocycles

por Ospina, Felipe, Schülke, Kai H., Soler, Jordi, Klein, Alina, Prosenc, Benjamin, Garcia‐Borràs, Marc, Hammer, Stephan C.
Publicado 2022

A Biocatalytic Platform for Synthesis of Chiral α-Trifluoromethylated Organoborons

por Huang, Xiongyi, Garcia-Borràs, Marc, Miao, Kun, Kan, S. B. Jennifer, Zutshi, Arjun, Houk, K. N., Arnold, Frances H.
Publicado 2019

Structural Basis for Stereoselective Dehydration and Hydrogen-Bonding Catalysis by the SAM-Dependent Pericyclase LepI

por Cai, Yujuan, Hai, Yang, Ohashi, Masao, Jamieson, Cooper S., Garcia-Borras, Marc, Houk, K. N., Zhou, Jiahai, Tang, Yi
Publicado 2019

Enzyme-Catalyzed Cationic Epoxide Rearrangements in Quinolone Alkaloid Biosynthesis

por Zou, Yi, Garcia-Borràs, Marc, Tang, Mancheng C., Hirayama, Yuichiro, Li, Dehai H., Li, Li, Watanabe, Kenji, Houk, K. N., Tang, Yi
Publicado 2017

Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics

por Acevedo-Rocha, Carlos G., Li, Aitao, D’Amore, Lorenzo, Hoebenreich, Sabrina, Sanchis, Joaquin, Lubrano, Paul, Ferla, Matteo P., Garcia-Borràs, Marc, Osuna, Sílvia, Reetz, Manfred T.
Publicado 2021

Regio‐ and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants

por Li, Aitao, Acevedo‐Rocha, Carlos G., D'Amore, Lorenzo, Chen, Jinfeng, Peng, Yaqin, Garcia‐Borràs, Marc, Gao, Chenghua, Zhu, Jinmei, Rickerby, Harry, Osuna, Sílvia, Zhou, Jiahai, Reetz, Manfred T.
Publicado 2020

In Vivo Selection for Formate Dehydrogenases with High Efficiency and Specificity toward NADP(+)

por Calzadiaz-Ramirez, Liliana, Calvó-Tusell, Carla, Stoffel, Gabriele M. M., Lindner, Steffen N., Osuna, Sílvia, Erb, Tobias J., Garcia-Borràs, Marc, Bar-Even, Arren, Acevedo-Rocha, Carlos G.
Publicado 2020

Machine Learning Enables Selection of Epistatic Enzyme Mutants for Stability Against Unfolding and Detrimental Aggregation

por Li, Guangyue, Qin, Youcai, Fontaine, Nicolas T., Ng Fuk Chong, Matthieu, Maria‐Solano, Miguel A., Feixas, Ferran, Cadet, Xavier F., Pandjaitan, Rudy, Garcia‐Borràs, Marc, Cadet, Frederic, Reetz, Manfred T.
Publicado 2020

Thermodynamic consequences of Tyr to Trp mutations in the cation–π-mediated binding of trimethyllysine by the HP1 chromodomain

por Krone, Mackenzie W., Albanese, Katherine I., Leighton, Gage O., He, Cyndi Qixin, Lee, Ga Young, Garcia-Borràs, Marc, Guseman, Alex J., Williams, David C., Houk, K. N., Brustad, Eric M., Waters, Marcey L.
Publicado 2020

A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

por Mallinson, Sam J. B., Machovina, Melodie M., Silveira, Rodrigo L., Garcia-Borràs, Marc, Gallup, Nathan, Johnson, Christopher W., Allen, Mark D., Skaf, Munir S., Crowley, Michael F., Neidle, Ellen L., Houk, Kendall N., Beckham, Gregg T., DuBois, Jennifer L., McGeehan, John E.
Publicado 2018

Enabling microbial syringol conversion through structure-guided protein engineering

por Machovina, Melodie M., Mallinson, Sam J. B., Knott, Brandon C., Meyers, Alexander W., Garcia-Borràs, Marc, Bu, Lintao, Gado, Japheth E., Oliver, April, Schmidt, Graham P., Hinchen, Daniel J., Crowley, Michael F., Johnson, Christopher W., Neidle, Ellen L., Payne, Christina M., Houk, Kendall N., Beckham, Gregg T., McGeehan, John E., DuBois, Jennifer L.
Publicado 2019