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List of works by Javier Iglesias-Fernández

A Multiperspective Approach to Solvent Regulation of Enzymatic Activity: HMG-CoA Reductase.

scientific article

A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides

A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.

scientific article published on 12 June 2017

Binding of azole drugs to heme: A combined MS/MS and computational approach

Catalytic Itinerary in 1,3-1,4-β-Glucanase Unraveled by QM/MM Metadynamics. Charge Is Not Yet Fully Developed at the Oxocarbenium Ion-like Transition State

scientific article published on 29 November 2011

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate

scientific article

Corrigendum: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism

scientific article published on 01 February 2016

Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution

scientific article published on 09 August 2019

Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation.

scientific article published on 5 May 2015

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase

Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors

scientific article published on 04 August 2020

Evidence for a boat conformation at the transition state of GH76 α-1,6-mannanases--key enzymes in bacterial and fungal mannoprotein metabolism

scientific article

Exploring the Conversion of a d -Sialic Acid Aldolase into a l -KDO Aldolase

Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency

scientific article published on 24 January 2019

Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations.

scientific article

Molecular dynamics simulations and neutron reflectivity as an effective approach to characterize biological membranes and related macromolecular assemblies.

scientific article published on 30 September 2015

Multivalent Ligands with Tailor-Made Anion Binding Motif as Stabilizers of Protein-Protein Interactions

scientific article published on 24 September 2019

Privateer: software for the conformational validation of carbohydrate structures

scientific article

Role of conformational dynamics in the evolution of novel enzyme function.

scientific article published in June 2018

Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 β-D-mannosidase

scientific article

Substrate-guided front-face reaction revealed by combined structural snapshots and metadynamics for the polypeptide N-acetylgalactosaminyltransferase 2

scientific article

Surfactin at the Water/Air Interface and in Solution

scientific article published on 22 September 2015

The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases.

scientific article

The reaction coordinate of a bacterial GH47 α-mannosidase: a combined quantum mechanical and structural approach

scientific article

The reaction mechanism of retaining glycosyltransferases

scientific article published on February 2016

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