Hydration sphere structure of architectural molecules: Polyethylene glycol and polyoxymethylene oligomers
Ahmed M. Rozza
,
Danny E.P. Vanpoucke
,
Eva-Maria Krammer
,
Julie Bouckaert
,
Ralf Blossey
,
et al.
Article dans une revue
hal-04161288v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
How Biochemical Environments Fine-Tune a Redox Process: From Theoretical Models to Practical Applications
Goedele Roos
,
Ramón Alain Miranda-Quintana
,
Marco Martinez Gonzalez
Article dans une revue
hal-02393011v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
How Mg 2+ ions lower the S N 2@P barrier in enzymatic triphosphate hydrolysis
Marc van Bochove
,
Goedele Roos
,
Célia Fonseca Guerra
,
Trevor Hamlin
,
F. Matthias Bickelhaupt
Article dans une revue
hal-02393021v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
On the influence of water on THz vibrational spectral features of molecular crystals
Sergey Mitryukovskiy
,
Danny E P Vanpoucke
,
Yue Bai
,
Theo Hannotte
,
Melanie Lavancier
,
et al.
Article dans une revue
hal-03584177v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl– Oxidation
Goedele Roos
,
Jeremy N. Harvey
Article dans une revue
hal-03178375v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl – Oxidation
Goedele Roos
,
Jeremy Harvey
Article dans une revue
hal-03409865v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Shining the light to terahertz spectroscopy of nL-volume biological samples
Sergey I. Mitryukovskiy
,
Melanie Lavancier
,
Flavie Braud
,
Goedele Roos
,
Theo Hannotte
,
et al.
CLEO (The Conference on Lasers and Electro-Optics Conference) 2019 , May 2019, San Jose, United States. paper ATu3K.6, 2 p.,
⟨10.1364/CLEO_AT.2019.ATu3K.6⟩
Communication dans un congrès
hal-02158865v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation—The Example of FimH
Eva-Maria Krammer
,
Jerome de Ruyck
,
Goedele Roos
,
Julie Bouckaert
,
Marc Lensink
Article dans une revue
hal-01925060v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Online conferences – Towards a new (virtual) reality
Goedele Roos
,
Julianna Oláh
,
Rebecca Ingle
,
Rika Kobayashi
,
Milica Feldt
Article dans une revue
hal-03044982v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Novel bis-arylalkylamines as myeloperoxidase inhibitors: Design, synthesis, and structure-activity relationship study
Iyas Aldib
,
Michel Gelbcke
,
Jalal Soubhye
,
Martine Prévost
,
Paul Furtmüller
,
et al.
Article dans une revue
hal-02393046v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Molecular Mechanisms of Drug Action: X-ray Crystallography at the Basis of Structure-based and Ligand-based Drug Design.
Julie Bouckaert
,
J. de Ruyck
,
E.M. Krammer
,
Goedele Roos
,
Marc Lensink
,
et al.
RSC Biophysical Techniques in Drug Discovery , 2018
Chapitre d'ouvrage
hal-01925147v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase
Lucas Krawczyk
,
Shubham Semwal
,
Jalal Soubhye
,
Salma Lemri Ouadriri
,
Martin Prévost
,
et al.
Acta crystallographica Section D : Structural biology [1993-..] , 2022, Acta Crystallographica Section D Structural Biology, D78 (9), pp.1099-1109.
⟨10.1107/s2059798322007082⟩
Article dans une revue
hal-03821220v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Molecular mechanism of substrate selectivity of the arginine-agmatine Antiporter AdiC
Eva Maria Krammer
,
Andrew Gibbons
,
Goedele Roos
,
Martine Prévost
Article dans une revue
hal-04461690v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Intramolecular Repulsion Visible Through the Electrostatic Potential in Disulfides: Analysis via Varying Iso-density Envelopes
Goedele Roos
,
Jane S. Murray
Article dans une revue
hal-04224679v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Seeing is believing: glycosylation in the crystal structure of human myeloperoxidase
Lucas Krawczyk
,
Shubham Semwal
,
Goedele Roos
,
Pierre van Antwerpen
,
Julie Bouckaert
A special symposium celebrating the 50th anniversary of the Protein Data Bank , May 2021, online, France
Poster de conférence
hal-03323513v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding
Said Rabbani
,
Eva-Maria Krammer
,
Goedele Roos
,
Adam Zalewski
,
Roland Preston
,
et al.
Article dans une revue
hal-02393031v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Binding of Gold(III) Porphyrin by the Pro-metastatic Regulatory Protein Human Galectin-3
Vanya Bogoeva
,
Miroslav Rangelov
,
Nadezhda Todorova
,
Annie Lambert
,
Clarisse Bridot
,
et al.
Article dans une revue
hal-02408764v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
The Antiadhesive Strategy in Crohn′s Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut
Dimitri Alvarez Dorta
,
Adeline Sivignon
,
Thibaut Chalopin
,
Tetiana Dumych
,
Goedele Roos
,
et al.
Article dans une revue
istex
hal-02077036v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
On the influence of water on THz vibrational spectral features of molecular crystals
Sergey Mitryukovskiy
,
Danny Vanpoucke
,
Theo Hannotte
,
Melanie Lavancier
,
D. Hourlier-Bahloul
,
et al.
Communication dans un congrès
hal-03835255v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More
Thiazolylaminomannosides As Potent Antiadhesives of Type 1 Piliated Escherichia coli Isolated from Crohn’s Disease Patients
Sami Brument
,
Adeline Sivignon
,
Tetiana Dumych
,
Nicolas Moreau
,
Goedele Roos
,
et al.
Article dans une revue
hal-01931359v1
Actions
Partager
Gmail
Facebook
X
LinkedIn
More