Lista de obras -

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

artículo científico publicado en 2017

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.

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution

artículo científico publicado en 2019

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

artículo científico publicado en 2015

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase

Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors

artículo científico publicado en 2020

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

artículo científico publicado en 2015

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

artículo científico publicado en 2019

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

artículo científico publicado en 2017

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

artículo científico publicado en 2015

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

artículo científico publicado en 2019

Privateer: software for the conformational validation of carbohydrate structures

artículo científico publicado en 2015

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

artículo científico publicado en 2018

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

Surfactin at the Water/Air Interface and in Solution

artículo científico publicado en 2015

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

artículo científico publicado en 2014

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

artículo científico publicado en 2012

The reaction mechanism of retaining glycosyltransferases

artículo científico publicado en 2016

Lista de obras de

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

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.

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

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

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

Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution

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

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase

Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors

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

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

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

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

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

Privateer: software for the conformational validation of carbohydrate structures

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

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

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

Surfactin at the Water/Air Interface and in Solution

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

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

The reaction mechanism of retaining glycosyltransferases