| 1 |
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation
Roos G, Harvey JN
Journal of Physical Chemistry B, 125(1), 74, 2021 |
| 2 |
How Biochemical Environments Fine-Tune a Redox Process: From Theoretical Models to Practical Applications
Roos G, Miranda-Quintana RA, Gonzalez MM
Journal of Physical Chemistry B, 122(34), 8157, 2018 |
| 3 |
From Thiol to Sulfonic Acid: Modeling the Oxidation Pathway of Protein Thiols by Hydrogen Peroxide
van Bergen LAH, Roos G, De Proft F
Journal of Physical Chemistry A, 118(31), 6078, 2014 |
| 4 |
Enzymatic Catalysis: The Emerging Role of Conceptual Density Functional Theory
Roos G, Geerlings P, Messens J
Journal of Physical Chemistry B, 113(41), 13465, 2009 |
| 5 |
Intrinsic Nucleofugality Scale within the Framework of Density Functional Reactivity Theory
Broeckaert L, Moens J, Roos G, De Proft F, Geerlings P
Journal of Physical Chemistry A, 112(47), 12164, 2008 |
| 6 |
hTERT T-1327/C polymorphism is not associated with age-related telomere attrition in peripheral blood
Nordfjall K, Osterman P, Melander O, Nilsson P, Roos G
Biochemical and Biophysical Research Communications, 358(1), 215, 2007 |
| 7 |
Origin of the pK(a) perturbation of N-terminal cysteine in alpha- and 3(10)-helices: A computational DFT study
Roos G, Loverix S, Geerlings P
Journal of Physical Chemistry B, 110(1), 557, 2006 |
| 8 |
Extracellular matrix alterations in brains lacking four of its components
Rauch U, Zhou XH, Roos G
Biochemical and Biophysical Research Communications, 328(2), 608, 2005 |
| 9 |
Gas-phase stability of tetrahedral multiply charged anions: A conceptual and computational DFT study
Roos G, De Proft F, Geerlings P
Journal of Physical Chemistry A, 109(4), 652, 2005 |
| 10 |
A computational and conceptual DFT study on the Michaelis complex of pI258 arsenate reductase. Structural aspects and activation of the electrophile and nucleophile
Roos G, Messens J, Loverix S, Wyns L, Geerlings P
Journal of Physical Chemistry B, 108(44), 17216, 2004 |
