Recent applications of Kirkwood-Buff theory to biological systems - Wikidata - thesis-toulmin - TriplyDB

Recent applications of Kirkwood-Buff theory to biological systems

Recent applications of Kirkwood-Buff theory to biological systems

http://www.wikidata.org/entity/Q24653308

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Why Hofmeister effects of many salts favor protein folding but not DNA helix formation.Kirkwood-Buff integrals for ideal solutions.Nonadditive empirical force fields for short-chain linear alcohols: methanol to butanol. Hydration free energetics and Kirkwood-Buff analysis using charge equilibration models Quantitative assessments of the distinct contributions of polypeptide backbone amides versus side chain groups to chain expansion via chemical denaturation Infinitely dilute partial molar properties of proteins from computer simulation.Synergy in protein-osmolyte mixtures.A Kirkwood-Buff derived force field for thiols, sulfides, and disulfides.A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides.Fluctuation theory of molecular association and conformational equilibria.Local fluctuations in solution mixtures.Preferential interactions between small solutes and the protein backbone: a computational analysis Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field Kirkwood-Buff theory of four and higher component mixtures.On the Kirkwood-Buff inversion procedure Kirkwood-Buff theory of molecular and protein association, aggregation, and cellular crowding Interactions of the osmolyte glycine betaine with molecular surfaces in water: thermodynamics, structural interpretation, and prediction of m-values.A Kirkwood-Buff force field for the aromatic amino acids.Thermodynamic and structural basis for relaxation of specificity in protein-DNA recognition Local Fluctuations in Solution: Theory and Applications.Reaching new levels of realism in modeling biological macromolecules in cellular environments.Quantifying non-specific interactions between flavour and food biomolecules.The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches.Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol" by D. Mukherji, M. Wagner, M. D. Watson, S. Winzen, T. E. de Oliveira, C. M. Marques and K. Kremer, Soft Matter, 2016, 12, 7995.Stabilizing effect of TMAO on globular PNIPAM states: preferential attraction induces preferential hydration.Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study.Introductory lecture: interpreting and predicting Hofmeister salt ion and solute effects on biopolymer and model processes using the solute partitioning model A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields.Computational analysis of the solvation of coffee ingredients in aqueous ionic liquid mixtures.Theoretical aspects of self-assembly of proteins: a Kirkwood-Buff-theory approach.Aqueous ionic liquids and their influence on peptide conformations: denaturation and dehydration mechanisms.Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions.How Osmolytes Counteract Pressure Denaturation on a Molecular Scale.Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations.Methods of protein corona isolation for magnetic nanoparticles.Effect of cosolvent on protein stability: a theoretical investigation.Interaction of Tenebrio Molitor Antifreeze Protein with Ice Crystal: Insights from Molecular Dynamics Simulations.Lysozyme-lysozyme self-interactions as assessed by the osmotic second virial coefficient: impact for physical protein stabilization.Aqueous ionic liquids in comparison with standard co-solutes : Differences and common principles in their interaction with protein and DNA structures.Kirkwood-Buff integrals for hard-core Yukawa fluids.Preferential Binding of Urea to Single-Stranded DNA Structures: A Molecular Dynamics Study.

P2860

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Recent applications of Kirkwood-Buff theory to biological systems

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Cell Biochemistry and Biophysics

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Recent applications of Kirkwood-Buff theory to biological systems

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Mahalaxmi Aburi

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Paul E Smith

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Samantha Weerasinghe

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Veronica Pierce

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P2860

The molecular mechanism of stabilization of proteins by TMAO and its ability to counteract the effects of urea

The Hofmeister effect and the behaviour of water at interfaces

Thermodynamics of interactions of urea and guanidinium salts with protein surface: relationship between solute effects on protein processes and changes in water-accessible surface area

Dominant forces in protein folding

Denaturant m values and heat capacity changes: relation to changes in accessible surface areas of protein unfolding

Expanding the pressure technique: insights into protein folding from combined use of pressure and chemical denaturants.

The effect of denaturants on protein structure.

Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals.

Trifluoroethanol and colleagues: cosolvents come of age. Recent studies with peptides and proteins.

Counteraction of urea-induced protein denaturation by trimethylamine N-oxide: a chemical chaperone at atomic resolution.

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