author-photo

Àngels González-Lafont

Autonomous University of Barcelona

141

Papers

3068

Citations

Citation Trend

Filter By

Papers (100) Sort By

Journal Conference Others

Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction

2021 Physical Chemistry Chemical Physics
Show All
- Source
- Cite
- Save
Citations (1)
A role of Gln596 in fine-tuning mammalian ALOX15 specificity, protein stability and allosteric properties

2020 Biochimica et Biophysica Acta
Show All
- Source
- Cite
- Save
Citations (1)
Deciphering the Molecular Details of the Lipoxin Formation Mechanism in the 5( S ),15( S )-DiHpETE Biosynthetic Pathway Catalyzed by Reticulocyte 15-Lipoxygenase-1.

2020 Journal of Physical Chemistry B
Show All
- Source
- Cite
- Save
Citations (0)
A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction

2020 Physical Chemistry Chemical Physics
Show All
- Source
- Cite
- Save
Citations (1)
Mutations of triad determinants changes the substrate alignment at the catalytic center of human ALOX5.

2019 ACS Chemical Biology
Show All
- Source
- Cite
- Save
Citations (4)
Comparing Hydrolysis and Transglycosylation Reactions Catalyzed by Thermus thermophilus β-Glycosidase. A Combined MD and QM/MM Study

2019 Frontiers in chemistry
Show All
- Source
- Cite
- Save
Citations (8)
Synthetic Photoswitchable Neurotransmitters Based on Bridged Azobenzenes

2019 Organic Letters
Show All
- Source
- Cite
- Save
Citations (20)
Chapter 5:Computational Enzymology: Modelling Biological Catalysts

2017
Show All
- Source
- Cite
- Save
Citations (0)
Understanding the Molecular Mechanism of the Ala-versus-Gly Concept Controlling the Product Specificity in Reactions Catalyzed by Lipoxygenases: A Combined Molecular Dynamics and QM/MM Study of Coral 8R-Lipoxygenase

2017 ACS Catalysis
Show All
- Source
- Cite
- Save
Citations (14)
Inhibition of Mammalian 15-Lipoxygenase by Three Ebselen-like Drugs. A QM/MM and MM/PBSA Comparative Study

2017 Journal of Physical Chemistry A
Show All
- Source
- Cite
- Save
Citations (12)