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Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Micelle formation by bile salts. Physical-chemical and thermodynamic considerations
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Micelle Formation by Bile Salts
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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
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Development and testing of a general amber force field
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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
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A Study of micelles of sodium taurodeoxycholate in the ultracentrifuge
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The dimensions of the bile salt micelle. Measurements by gel filtration
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Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
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Aggregation, aggregate composition, and dynamics in aqueous sodium cholate solutions
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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VMD: Visual molecular dynamics
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Intermolecular and Surface Forces
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Intermolecular and surface forces : with applications to colloidal and biological systems
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Determination of number-average aggregation numbers of bile salts micelles with a special emphasis on their oxo derivatives—The effect of the steroid skeleton
inferredcites →https://doi.org/10.1016/j.bbalip.2003.09.003openalex-snapshot
Micelle formation of sodium chenodeoxycholate and solubilization into the micelles: comparison with other unconjugated bile salts
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Micellization of conjugated chenodeoxy- and ursodeoxycholates and solubilization of cholesterol into their micelles: comparison with other four conjugated bile salts species
inferredcites →https://doi.org/10.1016/j.cocis.2009.11.010openalex-snapshot
Self-assembly in aqueous bile salt solutions
inferredcites →https://doi.org/10.1016/j.colsurfa.2006.02.009openalex-snapshot
Molecular dynamics simulations of spontaneous bile salt aggregation
inferredcites →https://doi.org/10.1016/s0021-9797(02)00191-1openalex-snapshot
Temperature effect on formation of sodium cholate micelles
inferredcites →https://doi.org/10.1016/s0022-2275(20)43047-0openalex-snapshot
Enlargement of taurocholate micelles by added cholesterol and monoolein: self-diffusion measurements
inferredcites →https://doi.org/10.1021/ba-1968-0084.ch004openalex-snapshot
Size and Structure of Bile Salt Micelles
inferredcites →https://doi.org/10.1021/ct3003207openalex-snapshot
Molecular Dynamics Simulations of a Characteristic DPC Micelle in Water
inferredcites →https://doi.org/10.1021/j100142a004openalex-snapshot
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
inferredcites →https://doi.org/10.1021/ja00124a002openalex-snapshot
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
inferredcites →https://doi.org/10.1021/jp001205xopenalex-snapshot
Hydrophobic Self-Association of Sodium Taurochenodeoxycholate and Tauroursodeoxycholate
inferredcites →https://doi.org/10.1021/jp072974kopenalex-snapshot
Molecular Aggregates in Aqueous Solutions of Bile Acid Salts. Molecular Dynamics Simulation Study
inferredcites →https://doi.org/10.1021/js950326jopenalex-snapshot
Aggregation Behavior of Bile Salts in Aqueous Solution†‡
inferredcites →https://doi.org/10.1021/la701749uopenalex-snapshot
Morphology of Bile Salt Micelles as Studied by Computer Simulation Methods
inferredcites →https://doi.org/10.1021/la971155wopenalex-snapshot
Fluorescence and NMR Studies of the Effect of a Bile Acid Dimer on the Micellization of Bile Salts
inferredcites →https://doi.org/10.1021/la9912390openalex-snapshot
Thermodynamic Characterization of Bile Salt Aggregation as a Function of Temperature and Ionic Strength Using Isothermal Titration Calorimetry
inferredcites →https://doi.org/10.1039/c0sm00011fopenalex-snapshot
Simulation study of micelle formation by bile salts
inferredcites →https://doi.org/10.1039/c2fo30085kopenalex-snapshot
In vitro study of triglyceride lipolysis and phase distribution of the reaction products and cholesterol: effects of calcium and bicarbonate
inferredcites →https://doi.org/10.1063/1.1324708openalex-snapshot
Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions
inferredcites →https://doi.org/10.1063/1.1674902openalex-snapshot
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.448118openalex-snapshot
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1063/1.464397openalex-snapshot
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1107/s0021889805031948openalex-snapshot
Exact model calculations of the total radial distribution functions for the X-ray diffraction case and systems of complicated chemical composition
inferredcites →https://doi.org/10.1351/pac-rec-10-01-02openalex-snapshot
Definition of the hydrogen bond (IUPAC Recommendations 2011)
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