4.7 Article

A comparison of the solvation thermodynamics of amino acid analogues in water, 1-octanol and 1-n-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids by molecular simulation

Related references

Note: Only part of the references are listed.
Article Thermodynamics

Solubilities of Pharmaceutical Compounds in Ionic Liquids

K. B. Smith et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2011)

Article Chemistry, Physical

Molecular dynamics simulation of the dielectric constant of water: The effect of bond flexibility

Gabriele Raabe et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular Simulation

Andrew S. Paluch et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics Simulation

Andrew S. Paluch et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

On the different roles of anions and cations in the solvation of enzymes in ionic liquids

Marco Klaehn et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Understanding the polarity of ionic liquids

M. A. Ab Rani et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols

Andrew S. Paluch et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Engineering, Chemical

Tryptophan extraction using hydrophobic ionic liquids

Luciana I. N. Tome et al.

SEPARATION AND PURIFICATION TECHNOLOGY (2010)

Article Chemistry, Physical

Hydration Free Energies of Amino Acids: Why Side Chain Analog Data Are Not Enough

Gerhard Koenig et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Chemistry, Physical

Temperature Dependence of the Solubility of Carbon Dioxide in Imidazolium-Based Ionic Liquids

Daniela Kerle et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Review Biophysics

The protein folding problem

Ken A. Dill et al.

ANNUAL REVIEW OF BIOPHYSICS (2008)

Article Engineering, Chemical

Comparing the use of Gibbs ensemble and grand-canonical transition-matrix Monte Carlo methods to determine phase equilibria

Andrew S. Paluch et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2008)

Article Chemistry, Physical

GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation

Berk Hess et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Physical

Protein structure and dynamics in ionic liquids. Insights from molecular dynamics simulation studies

Nuno M. Micaelo et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Article Chemistry, Physical

Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations

Thomas Steinbrecher et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Chemistry, Multidisciplinary

Molecular solutes in ionic liquids: A structural, perspective

Agilio A. H. Padua et al.

ACCOUNTS OF CHEMICAL RESEARCH (2007)

Article Chemistry, Physical

Solvation free energy of amino acids and side-chain analogues

Jaeeon Chang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Influence of bond flexibility on the vapor-liquid phase equilibria of water

Gabriele Raabe et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Microscopic structure and solvation in dry and wet octanol

B Chen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

Nanostructural organization in ionic liquids

JNAC Lopes et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

Flexible simple point-charge water model with improved liquid-state properties

YJ Wu et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Solvation free energies of amino acid side chain analogs for common molecular mechanics water models

MR Shirts et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Simulating the vapour-liquid equilibria of large cyclic alkanes

JS Lee et al.

MOLECULAR PHYSICS (2005)

Article Chemistry, Multidisciplinary

Recovery of amino acids by imidazolium based ionic liquids from aqueous media

JJ Wang et al.

GREEN CHEMISTRY (2005)

Article Chemistry, Multidisciplinary

Protein solubilising and stabilising ionic liquids

K Fujita et al.

CHEMICAL COMMUNICATIONS (2005)

Article Chemistry, Physical

On the use of Bennett's acceptance ratio method in multi-canonical-type simulations

MK Fenwick et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Physics, Multidisciplinary

Equilibrium free energies from nonequilibrium measurements using maximum-likelihood methods

MR Shirts et al.

PHYSICAL REVIEW LETTERS (2003)

Article Chemistry, Physical

Appropriate methods to combine forward and reverse free-energy perturbation averages

ND Lu et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Engineering, Chemical

Some novel liquid partitioning systems: Water-ionic liquids and aqueous biphasic systems

MH Abraham et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2003)

Article Chemistry, Physical

Solvent-solute interactions in ionic liquids

L Crowhurst et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)

Article Physics, Fluids & Plasmas

Generalization of the Wang-Landau method for off-lattice simulations

MS Shell et al.

PHYSICAL REVIEW E (2002)

Article Chemistry, Physical

Density-of-states Monte Carlo method for simulation of fluids

QL Yan et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Engineering, Chemical

Ionic liquids: Innovative fluids for chemical processing

JF Brennecke et al.

AICHE JOURNAL (2001)

Article Physics, Multidisciplinary

Efficient, multiple-range random walk algorithm to calculate the density of states

FG Wang et al.

PHYSICAL REVIEW LETTERS (2001)

Review Multidisciplinary Sciences

Improving enzymes by using them in organic solvents

AM Klibanov

NATURE (2001)

Article Biochemistry & Molecular Biology

Protein renaturation by the liquid organic salt ethylammonium nitrate

CA Summers et al.

PROTEIN SCIENCE (2000)

Article Chemistry, Multidisciplinary

Partitioning of alkane and alcohol solutes between water and (Dry or wet) 1-Octanol

B Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)

Article Computer Science, Interdisciplinary Applications

M.DynaMix -: a scalable portable parallel MD simulation package for arbitrary molecular mixtures

AP Lyubartsev et al.

COMPUTER PHYSICS COMMUNICATIONS (2000)