Goedele Roos

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Major Depressive Disorder

Crystal Structure

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

Acta crystallographica. Section D, Structural biology

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Goedele Roos, Jane S Murray
Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions. Physical chemistry chemical physics : PCCP 26 (9) (2024)
Goedele Roos, Jane S Murray
Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions. Physical chemistry chemical physics : PCCP (2024)
Goedele Roos, Jane S Murray
Intramolecular Repulsion Visible Through the Electrostatic Potential in Disulfides: Analysis via Varying Iso-density Envelopes. The journal of physical chemistry. A (2023)
Lucas Krawczyk, Shubham Semwal, Jalal Soubhye, Salma Lemri Ouadriri, Martine Prévost, Pierre Van Antwerpen, Goedele Roos, Julie Maria Jozefa Bouckaert
Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase. Acta crystallographica. Section D, Structural biology 78 (Pt 9) (2022)
Goedele Roos, Jeremy N Harvey
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation. The journal of physical chemistry. B 125 (1) (2020)
Goedele Roos, Ramón Alain Miranda-Quintana, Marco Martínez González
How Biochemical Environments Fine-Tune a Redox Process: From Theoretical Models to Practical Applications. The journal of physical chemistry. B 122 (34) (2018)