Estimating conformational heterogeneity of tryptophan synthase with a template‐based Alphafold2 approach von Casadevall, Guillem, Duran, Cristina, Estévez‐Gay, Miquel, Osuna, Sílvia

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Enzyme Conformation Influences the Performance of Lipase‐powered Nanomotors von Wang, Lei, Marciello, Marzia, Estévez‐Gay, Miquel, Soto Rodriguez, Paul E. D., Luengo Morato, Yurena, Iglesias‐Fernández, Javier, Huang, Xin, Osuna, Sílvia, Filice, Marco, Sánchez, Samuel

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SBMOpenMM: A Builder of Structure-Based Models for OpenMM von Floor, Martin, Li, Kengjie, Estévez-Gay, Miquel, Agulló, Luis, Muñoz-Torres, Pau Marc, Hwang, Jenn K, Osuna, Sílvia, Villà-Freixa, Jordi

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Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels von Estévez-Gay, Miquel, Iglesias-Fernández, Javier, Osuna, Sílvia

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A Dynamic Loop in Halohydrin Dehalogenase HheG Regulates Activity and Enantioselectivity in Epoxide Ring Opening von Staar, Marcel, Ahlborn, Lina, Estévez-Gay, Miquel, Pallasch, Katharina, Osuna, Sílvia, Schallmey, Anett

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Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2 von Wessel, Julia, Petrillo, Giovanna, Estevez‐Gay, Miquel, Bosch, Sandra, Seeger, Margarita, Dijkman, Willem P., Iglesias‐Fernández, Javier, Hidalgo, Aurelio, Uson, Isabel, Osuna, Sílvia, Schallmey, Anett

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Enzyme Conformation Influences the Performance of Lipase‐powered Nanomotors von Wang, Lei, Marciello, Marzia, Estévez‐Gay, Miquel, Soto Rodriguez, Paul E. D., Luengo Morato, Yurena, Iglesias‐Fernández, Javier, Huang, Xin, Osuna, Sílvia, Filice, Marco, Sánchez, Samuel

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Computational exploration and design of HHDH variants with novel synthetically useful functionalities von Estévez-Gay, Miquel

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Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor von Estévez Gay, Miquel

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Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach von Casadevall Frano, Guillem, Duran i Rebenaque, Cristina, Estévez Gay, Miquel, Osuna Oliveras, Sílvia

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Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels von Estévez Gay, Miquel, Iglesias-Fernández, Javier, Osuna Oliveras, Sílvia

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Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2 von Wessel, Julia, Petrillo, Giovanna, Estévez Gay, Miquel, Bosch, Sandra, Seeger, Margarita, Dijkman, Willem P, Iglesias-Fernández, Javier, Hidalgo, Aurelio, Uson, Isabel, Osuna Oliveras, Sílvia, Schallmey, Anett

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Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors von Wang, Lei, Marciello, Marzia, Estévez Gay, Miquel, Soto Rodriguez, Paul E. D, Luengo Morato, Yurena, Iglesias-Fernández, Javier, Huang, Xin, Osuna Oliveras, Sílvia, Filice, Marco, Sánchez, Samuel

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