Citation Impact
Citing Papers
Identification of Aldo-Keto Reductase AKR1B10 as a Selective Target for Modification and Inhibition by Prostaglandin A1: Implications for Antitumoral Activity
2011
Pharmacological inhibition of cystine–glutamate exchange induces endoplasmic reticulum stress and ferroptosis
2014 Standout
The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures
2012
Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells
2020 StandoutNobel
Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects
2010
Mechanistic insights into glycosidase chemistry
2008
Sucrose synthase: A unique glycosyltransferase for biocatalytic glycosylation process development
2015
An Overview of Sucrose Synthases in Plants
2019 Standout
Molecular Dynamics Simulation for All
2018 Standout
Identification of proteomic signatures associated with lung cancer and COPD
2013
Biological roles of glycans
2016 Standout
Selective C H bond functionalization with engineered heme proteins: new tools to generate complexity
2018 StandoutNobel
Feature space resampling for protein conformational search
2009 StandoutNobel
NRF2 plays a critical role in mitigating lipid peroxidation and ferroptosis
2019 Standout
Free Radicals: Properties, Sources, Targets, and Their Implication in Various Diseases
2014 Standout
Substrate‐Guided Front‐Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N‐Acetylgalactosaminyltransferase 2
2014
Nanostructure of cellulose microfibrils in spruce wood
2011 Standout
Metadynamics
2011
Self-healing polymers
2020 Standout
Structure and Nanostructure in Ionic Liquids
2015 Standout
Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates
2011
Computer Simulation of Liquids
2017 Standout
Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings
2014
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
2012 Standout
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
2016
An Oxidative Enzyme Boosting the Enzymatic Conversion of Recalcitrant Polysaccharides
2010 StandoutScience
Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose
2016
The Biochemistry of O-GlcNAc Transferase: Which Functions Make It Essential in Mammalian Cells?
2016
Thermal Degradation of Methyl β-d -Glucoside. A Theoretical Study of Plausible Reaction Mechanisms
2009
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
2008
Metadynamics simulations of ice nucleation and growth
2008
Enhanced 4-Hydroxynonenal Resistance inKEAP1Silenced Human Colon Cancer Cells
2013
Engineering Orthogonal Polypeptide GalNAc-Transferase and UDP-Sugar Pairs
2019 StandoutNobel
PLUMED 2: New feathers for an old bird
2013 Standout
Computational tools for the evaluation of laboratory-engineered biocatalysts
2016
Investigations of enzyme-catalysed reactions with combined quantum mechanics/molecular mechanics (QM/MM) methods
2010
Lignocellulosic biomass pyrolysis mechanism: A state-of-the-art review
2017 Standout
Exploring, Refining, and Validating the Paradynamics QM/MM Sampling
2012 StandoutNobel
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap
2011
2013 Standout
High-Temperature Behavior of Cellulose I
2011
Works of Albert Ardèvol being referenced
Mechanism of Cellulose Hydrolysis by Inverting GH8 Endoglucanases: A QM/MM Metadynamics Study
2009
Aldo-keto reductases from the AKR1B subfamily: Retinoid specificity and control of cellular retinoic acid levels
2008
The Molecular Mechanism of Enzymatic Glycosyl Transfer with Retention of Configuration: Evidence for a Short‐Lived Oxocarbenium‐Like Species
2011
The Conformational Free Energy Landscape of β-d -Glucopyranose. Implications for Substrate Preactivation in β-Glucoside Hydrolases
2007
Retinaldehyde is a substrate for human aldo–keto reductases of the 1C subfamily
2011
Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map
2015
The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases
2014
Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations
2015
Structural basis for the high all-trans -retinaldehyde reductase activity of the tumor marker AKR1B10
2007
The Molecular Mechanism of Enzymatic Glycosyl Transfer with Retention of Configuration: Evidence for a Short‐Lived Oxocarbenium‐Like Species
2011