Computational solvation dynamics of oxyquinolinium betaine linked to trehalose

Effect of sucrose on chemically and thermally induced unfolding of domain-I of human serum albumin: Solvation dynamics and fluorescence anisotropy study

(2016) Rajeev Yadav et al.   BIOPHYSICAL CHEMISTRY

The small impact of various partial charge distributions in ground and excited state on the computational Stokes shift of 1-methyl-6-oxyquinolinium betaine in diverse water models

(2016) Esther Heid et al.   JOURNAL OF CHEMICAL PHYSICS

Retardation of Bulk Water Dynamics by Disaccharide Osmolytes

(2016) Nimesh Shukla et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Role of Trehalose for the Stabilization of Proteins

(2016) Christoffer Olsson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Comparative Study of the Influence of Sugars Sucrose, Trehalose, and Maltose on the Hydration and Diffusion of DMPC Lipid Bilayer at Complete Hydration: Investigation of Structural and Spectroscopic Aspect of Lipid–Sugar Interaction

(2016) Arpita Roy et al.   LANGMUIR

Quantitative characterization of hydration state and destructuring effect of monosaccharides and disaccharides on water hydrogen bond network

(2015) K. Shiraga et al.   CARBOHYDRATE RESEARCH

Ultrafast solvation dynamics at internal sites of staphylococcal nuclease investigated by site-directed mutagenesis

(2015) Guang-Yu Gao et al.   Chinese Physics B

Power-Law Solvation Dynamics in G-Quadruplex DNA: Role of Hydration Dynamics on Ligand Solvation inside DNA

(2015) Nibedita Pal et al.   Journal of Physical Chemistry Letters

A femtosecond mid-infrared study of the dynamics of water in aqueous sugar solutions

(2015) C. C. M. Groot et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Observing the Hydration Layer of Trehalose with a Linked Molecular Terahertz Probe

(2014) Mohsen Sajadi et al.   Journal of Physical Chemistry Letters

Microscopic mechanism of protein cryopreservation in an aqueous solution with trehalose

(2013) Dario Corradini et al.   Scientific Reports

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Simulations of Solvation and Solvation Dynamics in an Idealized Ionic Liquid Model

(2012) Durba Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydration and Mobility of Trehalose in Aqueous Solution

(2012) Louise Revsbech Winther et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydration and Aggregation in Mono- and Disaccharide Aqueous Solutions by Gigahertz-to-Terahertz Light Scattering and Molecular Dynamics Simulations

(2012) L. Lupi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Disaccharide Topology Induces Slowdown in Local Water Dynamics

(2011) Ana Vila Verde et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solvation dynamics in dipolar liquids

(2010) Biman Bagchi et al.   CHEMICAL SOCIETY REVIEWS

Slowing down of water dynamics in disaccharide aqueous solutions

(2010) A. Lerbret et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Water and Trehalose: How Much Do They Interact with Each Other?

(2010) S. E. Pagnotta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Terahertz Absorption Spectroscopy of a Liquid Using a Polarity Probe: A Case Study of Trehalose/Water Mixtures

(2009) Mohsen Sajadi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Relaxation of Voronoi shells in hydrated molecular ionic liquids

(2009) G. Neumayr et al.   JOURNAL OF CHEMICAL PHYSICS

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dynamics of Water and Ions Near DNA: Comparison of Simulation to Time-Resolved Stokes-Shift Experiments

(2009) Sobhan Sen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-Range Influence of Carbohydrates on the Solvation Dynamics of WaterAnswers from Terahertz Absorption Measurements and Molecular Modeling Simulations

(2008) M. Heyden et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS