Halima Mouhib
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View article: Beyond Olfaction: New Insights into Human Odorant Binding Proteins
Beyond Olfaction: New Insights into Human Odorant Binding Proteins Open
Until today, the exact function of mammalian odorant binding proteins (OBPs) remains a topic of debate. Although their main established function lacks direct evidence in human olfaction, OBPs are traditionally believed to act as odorant tr…
View article: Odorant Binding Proteins Facilitate the Gas‐Phase Uptake of Odorants Through the Nasal Mucus
Odorant Binding Proteins Facilitate the Gas‐Phase Uptake of Odorants Through the Nasal Mucus Open
Mammalian odorant binding proteins (OBPs) have long been suggested to transport hydrophobic odorant molecules through the aqueous environment of the nasal mucus. While the function of OBPs as odorant transporters is supported by their hydr…
View article: Mimicking the Gas-Phase to Transport Odorants through the Nasal Mucus: Functional Insights into Odorant Binding Proteins
Mimicking the Gas-Phase to Transport Odorants through the Nasal Mucus: Functional Insights into Odorant Binding Proteins Open
Mammalian odorant binding proteins (OBPs) have long been suggested to transport hydrophobic odorant molecules through the aqueous environment of the nasal mucus. While the function of OBPs as odorant transporters is supported by their hydr…
View article: CCDC 2313720: Experimental Crystal Structure Determination
CCDC 2313720: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Introduction to Protein Structure
Introduction to Protein Structure Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Monte Carlo for Protein Structures
Monte Carlo for Protein Structures Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Introduction to Protein Folding
Introduction to Protein Folding Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Thermodynamics of Protein Folding
Thermodynamics of Protein Folding Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Data Resources for Structural Bioinformatics
Data Resources for Structural Bioinformatics Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Molecular Dynamics
Molecular Dynamics Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate
Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate Open
High-resolution spectroscopy techniques play a pivotal role to validate and benchmark methods from quantum chemistry. This is crucial for small esters which exhibit a soft-degree of freedom around the C–C bond in proximity to the carbonyl …
View article: Impact of pathogenic mutations of the GLUT1 glucose transporter on solute carrier dynamics using ComDYN enhanced sampling
Impact of pathogenic mutations of the GLUT1 glucose transporter on solute carrier dynamics using ComDYN enhanced sampling Open
Background: The solute carrier (SLC) family of membrane proteins is a large class of transporters for many small molecules that are vital for cellular function. Several pathogenic mutations are reported in the glucose transporter subfamily…
View article: Structure determination
Structure determination Open
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims …
View article: CCDC 2074783: Experimental Crystal Structure Determination
CCDC 2074783: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2074781: Experimental Crystal Structure Determination
CCDC 2074781: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2074782: Experimental Crystal Structure Determination
CCDC 2074782: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth
The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth Open
Many proteins have the potential to aggregate into amyloid fibrils, protein polymers associated with a wide range of human disorders such as Alzheimer's and Parkinson's disease. The thermodynamic stability of amyloid fibrils, in contrast t…
View article: The first microsolvation step for furans: New experiments and benchmarking strategies
The first microsolvation step for furans: New experiments and benchmarking strategies Open
The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to describe the structure, energetics, and vibrational spectrum at low temperat…
View article: The heavy atom structures and <sup>33</sup>S quadrupole coupling constants of 2-thiophenecarboxaldehyde: insights from microwave spectroscopy
The heavy atom structures and <sup>33</sup>S quadrupole coupling constants of 2-thiophenecarboxaldehyde: insights from microwave spectroscopy Open
International audience
View article: The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth
The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth Open
Many proteins have the potential to aggregate into amyloid fibrils, which are associated with a wide range of human disorders including Alzheimer's and Parkinson's disease. In contrast to that of folded proteins, the thermodynamic stabilit…
View article: Impact of pathogenic mutations of the GLUT1 glucose transporter on channel dynamics using ConsDYN enhanced sampling
Impact of pathogenic mutations of the GLUT1 glucose transporter on channel dynamics using ConsDYN enhanced sampling Open
Background: The solute carrier (SLC) family of membrane proteins is a large class of transporters for many small molecules that are vital for the cell. Several pathogenic mutations are reported in the glucose transporter subfamily SLC2, c…
View article: Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone
Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone Open
Modern structural studies of biologically relevant molecules require an exhaustive interplay between experiment and theory. In this work, we present two examples where a poor choice of the theoretical method led to a misinterpretation of e…
View article: The furan microsolvation blind challenge for quantum chemical methods: First steps
The furan microsolvation blind challenge for quantum chemical methods: First steps Open
Herein we present the results of a blind challenge to quantum chemical methods in the calculation of dimerization preferences in the low temperature gas phase. The target of study was the first step of the microsolvation of furan, 2-methyl…
View article: Communication through the furan ring: the conformational effect on the internal rotation of 5-methyl furfural studied by microwave spectroscopy
Communication through the furan ring: the conformational effect on the internal rotation of 5-methyl furfural studied by microwave spectroscopy Open
Internal rotation of the methyl group in 5-methyl furfural as a tool to explore electronic effects on the structure and dynamics of isolated molecules: new insights from large amplitude motions.
View article: Molecules in confinement in clusters, quantum solvents and matrices: general discussion
Molecules in confinement in clusters, quantum solvents and matrices: general discussion Open
ISSN:1359-6640
View article: Methyl Internal Rotation in the Microwave Spectrum of <i>o</i>‐Methyl Anisole
Methyl Internal Rotation in the Microwave Spectrum of <i>o</i>‐Methyl Anisole Open
The microwave spectrum of o ‐methyl anisole (2‐methoxytoluene), CH 3 OC 6 H 4 CH 3, has been measured by using a pulsed molecular jet Fourier transform microwave spectrometer operating in the frequency range 2–26.5 GHz. Conformational anal…
View article: Favored Conformations of Carbonyl Compounds: A Structural Study of <i>n</i>‐Octanal
Favored Conformations of Carbonyl Compounds: A Structural Study of <i>n</i>‐Octanal Open
We report on the molecular structures of the two most abundant conformers of n ‐octanal observed by molecular beam Fourier transform microwave spectroscopy. Next to limonene, which is the main component of citrus‐oil, octanal and other n ‐…
View article: Mechanical Unfolding of an Autotransporter Passenger Protein Reveals the Secretion Starting Point and Processive Transport Intermediates
Mechanical Unfolding of an Autotransporter Passenger Protein Reveals the Secretion Starting Point and Processive Transport Intermediates Open
The backbone of secreted autotransporter passenger proteins generally attains a stable β-helical structure. The secretion of passengers across the outer membrane was proposed to be driven by sequential folding of this structure at the cell…