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Selective synthesis of 4-hydroxyisophorone and 4-ketoisophorone by fungal peroxygenases
(Royal Society of Chemistry, 2019-02-26)
Article
Open AccessThe recently discovered unspecific peroxygenases (UPOs) from the ascomycetes Chaetomium globosum and Humicola insolens were capable of selectively hydroxylating isophorone to 4-hydroxyisophorone (4HIP) and 4-ketoisophorone ... -
SKEMPI 2.0: an updated benchmark of changes in protein–protein binding energy, kinetics and thermodynamics upon mutation
(Oxford University Press, 2018-07-18)
Article
Open AccessMotivation: Understanding the relationship between the sequence, structure, binding energy, binding kinetics and binding thermodynamics of protein–protein interactions is crucial to understanding cellular signaling, the ... -
Multitrait genome association analysis identifies new susceptibility genes for human anthropometric variation in the GCAT cohort
(BMJ Publishing Group, 2018-08-30)
Article
Open AccessBackground Heritability estimates have revealed an important contribution of SNP variants for most common traits; however, SNP analysis by single-trait genome-wide association studies (GWAS) has failed to uncover their ... -
Description of a Non-Canonical Mn(II)-Oxidation Site in Peroxidases
(American Chemical Society, 2018-07-31)
Article
Restricted access - publisher's policyA dye-decolorizing peroxidase (DyP) from Pleurotus ostreatus (PosDyP4) catalyzes the oxidation of Mn2+ to Mn3+, in the presence of H2O2, with an efficiency similar to the well-known manganese peroxidases and versatile ... -
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case
(American Chemical Society, 2018-07-27)
Article
Restricted access - publisher's policyCryo-electron microscopy (cryo-EM) is emerging as a real alternative for structural elucidation. In spite of this, very few cryo-EM structures have been described so far as successful platforms for in silico drug design. ... -
Intrinsically active MEK variants are differentially regulated by proteinases and phosphatases
(Nature Publishing Group, 2018-08-07)
Article
Open AccessMAPK/ERK kinase (MEK) 1/2 are central signaling proteins that serve as specificity determinants of the MAPK/ERK cascade. More than twenty activating mutations have been reported for MEK1/2, and many of them are known to ... -
Controlled manipulation of enzyme specificity through immobilization-induced flexibility constraints
(Elsevier, 2018-09-05)
Article
Open AccessIt 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 ... -
Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-β Fibrils
(American Chemical Society, 2017-08-29)
Article
Open AccessAlzheimer’s disease is a challenge of the utmost importance for contemporary society. An early diagnosis is essential for the development of treatments and for establishing a network of support for the patient. In this ... -
Multiple implications of an active site phenylalanine in the catalysis of aryl-alcohol oxidase
(Nature Publishing Group, 2018-05-25)
Article
Open AccessAryl-alcohol oxidase (AAO) has demonstrated to be an enzyme with a bright future ahead due to its biotechnological potential in deracemisation of chiral compounds, production of bioplastic precursors and other reactions ... -
Computational structure‐based drug design: Predicting target flexibility
(Wiley, 2018-04-29)
Article
Open AccessThe role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing ... -
Rational Engineering of Multiple Active Sites in an Ester Hydrolase
(American Chemical Society, 2018-03-30)
Article
Open AccessEffects 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 ... -
Ten steps to get started in Genome Assembly and Annotation
(F1000Research, 2018-02-05)
Article
Open AccessAs a part of the ELIXIR-EXCELERATE efforts in capacity building, we present here 10 steps to facilitate researchers getting started in genome assembly and genome annotation. The guidelines given are broadly applicable, ...
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