Browsing by Author "Santiago, Gerard"

Now showing items 1-10 of 10

    • Computationally driven rational design of substrate promiscuity on serine ester hydrolases 

      Roda, Sergi; Fernandez Lopez, Laura; Cañadas, Rubén; Santiago, Gerard; Ferrer, Manuel; Guallar, Victor (American Chemical Society, 2021)
      Article
      Open Access
      Enzymes with a broad substrate specificity are of great interest both at the basic and applied level. Understanding the main parameters that make an enzyme substrate ambiguous could be thus important not only for their ...

    • Computer-aided laccase engineering: toward biological oxidation of arylamines 

      Santiago, Gerard; de Salas, Felipe; Lucas, Fatima; Monza, Emanuele; Acebes, Sandra; Martinez, Ángel T.; Camarero, Susana (ACS Publications, 2016-07-08)
      Article
      Open Access
      Oxidation of arylamines, such as aniline, is of high industrial interest and laccases have been proposed as biocata-lysts to replace harsh chemical oxidants. However, the reaction is hampered by the redox potential of the ...

    • Controlled manipulation of enzyme specificity through immobilization-induced flexibility constraints 

      Coscolín, Cristina; Beloqui, Ana; Martínez-Martínez, Mónica; Bargiela, Rafael; Santiago, Gerard; Blanco, Rosa M.; Delaittre, Guillaume; Márquez-Álvarez, Carlos; Ferrer, Manuel (Elsevier, 2018-09-05)
      Article
      Open Access
      It is thought that during immobilization enzymes, as dynamic biomolecules, may become distorted and this may alter their catalytic properties. However, the effects of different immobilization strategies on enzyme rigidity ...

    • Esterases computational study 

      Cañadas, Ruben; Santiago, Gerard; Guallar, Victor (Barcelona Supercomputing Center, 2017-05-04)
      Conference report
      Open Access
      In our project, we are focusing on two different esterases called LAE6 and LAE5. LAE6 is very promiscuous since it presents activity towards a wide range of different substrates, whereas LAE5 presents activity towards few ...

    • Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes 

      Roda, Sergi; Santiago, Gerard; Guallar, Victor (Academic Press Inc., 2020-09)
      Part of book or chapter of book
      Open Access
      With the increase of the need to use more sustainable processes for the industry in our society, the modeling of enzymes has become crucial to fully comprehend their mechanism of action and use this knowledge to enhance ...

    • PluriZymes: new enzymes for new times 

      Domingo-Cabasés, Marc; Rodà, Sergi; Santiago, Gerard; Guallar, Victor (Barcelona Supercomputing Center, 2019-05-07)
      Conference report
      Open Access

    • Protein modelling for enzyme engineering 

      Santiago, Gerard; Guallar, Victor (Barcelona Supercomputing Center, 2017-05-04)
      Conference report
      Open Access

    • Rational Engineering of Multiple Active Sites in an Ester Hydrolase 

      Santiago, Gerard; Martínez-Martínez, Mónica; Alonso, Sandra; Bargiela, Rafael; Coscolín, Cristina; Golyshing, Peter N.; Guallar, Victor; Ferrer, Manuel (American Chemical Society, 2018-03-30)
      Article
      Open Access
      Effects of altering the properties of an active site in an enzymatic homogeneous catalyst have been extensively reported. However, the possibility of increasing the number of such sites, as commonly done in heterogeneous ...

    • Re-designing the substrate binding pocket of laccase for enhanced oxidation of sinapic acid 

      Pardo, Isabel; Santiago, Gerard; Gentili, Patrizia; Lucas, Fátima; Monza, Emanuele; Medrano, Francisco Javier; Galli, Carlo; Martínez, Angel T.; Guallar, Víctor; Camarero, Susana (Royal Society of Chemistry, 2015-12-29)
      Article
      Open Access
      Iterative saturation mutagenesis was performed over six residues delimiting the substrate binding pocket of a high redox potential chimeric laccase with the aim of enhancing its activity over sinapic acid, a ligninrelated ...

    • Towards PET degradation engineering 

      Rodà, Sergi; Santiago, Gerard; Guallar, Victor (Barcelona Supercomputing Center, 2019-05-07)
      Conference report
      Open Access