Search Results - "Booth, Jonathan J"
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Mechanism of Hydrophobic Drug Solubilization by Small Molecule Hydrotropes
Published in The journal of physical chemistry. B (27-12-2012)“…Drugs that are poorly soluble in water can be solubilized by the addition of hydrotropes. Albeit known for almost a century, how they work at a molecular basis…”
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Hydrotrope accumulation around the drug: the driving force for solubilization and minimum hydrotrope concentration for nicotinamide and urea
Published in Physical chemistry chemical physics : PCCP (01-01-2015)“…Nicotinamide is an effective non-micellar hydrotrope (solubilizer) for drugs with low aqueous solubility. To clarify the molecular basis of nicotinamide's…”
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Hydrotropy: binding models vs. statistical thermodynamics
Published in Physical chemistry chemical physics : PCCP (21-12-2013)“…Hydrophobic drugs can often be solubilized by the addition of hydrotropes. We have previously shown that preferential drug-hydrotrope association is one of the…”
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Fully Atomistic Simulations of Protein Unfolding in Low Speed Atomic Force Microscope and Force Clamp Experiments with the Help of Boxed Molecular Dynamics
Published in The journal of physical chemistry. B (04-02-2016)“…The results of boxed dynamics (BXD) fully atomistic simulations of protein unfolding by atomic force microscopy (AFM) in both force clamp (FC) and velocity…”
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Mechanical Unfolding of Proteins—A Comparative Nonequilibrium Molecular Dynamics Study
Published in Biophysical journal (01-09-2020)“…Mechanical signals regulate functions of mechanosensitive proteins by inducing structural changes that are determinant for force-dependent interactions. Talin…”
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Talin Rod Mechanical Unfolding: In Silico Study using Both Boxed and Steered Molecular Dynamics
Published in Biophysical journal (07-02-2020)Get full text
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