4.7 Article

In silico studies of the properties of water hydrating a small protein

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

On the Coupling between the Collective Dynamics of Proteins and Their Hydration Water

Valeria Conti Nibali et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Physics, Multidisciplinary

Spatial Dependence of Protein-Water Collective Hydrogen-Bond Dynamics

Matthias Heyden et al.

PHYSICAL REVIEW LETTERS (2013)

Article Chemistry, Physical

Component analysis of the protein hydration entropy

Song-Ho Chong et al.

CHEMICAL PHYSICS LETTERS (2012)

Article Chemistry, Physical

From anomalies in neat liquid to structure, dynamics and function in the biological world

Biman Bagchi

CHEMICAL PHYSICS LETTERS (2012)

Article Chemistry, Multidisciplinary

Benchmarking the thermodynamic analysis of water molecules around a model beta sheet

David J. Huggins

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Physical

Why the Solvation Water around Proteins Is More Dense than Bulk Water

Anna Kuffel et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Physical

Sitting at the Edge: How Biomolecules use Hydrophobicity to Tune Their Interactions and Function

Amish J. Patel et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Multidisciplinary

Magnitude and Molecular Origin of Water Slowdown Next to a Protein

Fabio Sterpone et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Chemistry, Physical

Local heterogeneous dynamics of water around lysozyme: a computer simulation study

Sudipta Kumar Sinha et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Biochemistry & Molecular Biology

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization

Thijs Beuming et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2012)

Article Biochemistry & Molecular Biology

Exploration of the Correlation between Solvation Dynamics and Internal Dynamics of a Protein

Anjali Jha et al.

BIOCHEMISTRY (2011)

Article Chemistry, Physical

Biological water: A critique

Dongping Zhong et al.

CHEMICAL PHYSICS LETTERS (2011)

Article Chemistry, Multidisciplinary

Vibrational Density of States of Hydration Water at Biomolecular Sites: Hydrophobicity Promotes Low Density Amorphous Ice Behavior

Daniela Russo et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Physical

Entropy and dynamics of water in hydration layers of a bilayer

Ananya Debnath et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Local Order, Energy, and Mobility of Water Molecules in the Hydration Shell of Small Peptides

Manish Agarwal et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Multidisciplinary Sciences

Hydration dynamics at fluorinated protein surfaces

Oh-Hoon Kwon et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)

Article Chemistry, Physical

Does the Dynamic Stokes Shift Report on Slow Protein Hydration Dynamics?

Bertil Halle et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Review Chemistry, Multidisciplinary

Protein Hydration Dynamics and Molecular Mechanism of Coupled Water-Protein Fluctuations

Luyuan Zhang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Multidisciplinary Sciences

A tetrahedral entropy for water

Pradeep Kumar et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Review Chemistry, Multidisciplinary

Nature of biological water: a femtosecond study

Kankan Bhattacharyya

CHEMICAL COMMUNICATIONS (2008)

Review Chemistry, Multidisciplinary

Water as an active constituent in cell biology

Philip Ball

CHEMICAL REVIEWS (2008)

Article Chemistry, Physical

Evaluating rotational diffusion from protein MD simulations

Vance Wong et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Article Chemistry, Physical

Aqueous peptides as experimental models for hydration water dynamics near protein surfaces

Cecile Malardier-Jugroot et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Physics, Multidisciplinary

Fingerprints of amorphous icelike behavior in the vibrational density of states of protein hydration water

A. Paciaroni et al.

PHYSICAL REVIEW LETTERS (2008)

Article Multidisciplinary Sciences

Cell water dynamics on multiple time scales

Erik Persson et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)

Article Chemistry, Multidisciplinary

Hydration dynamics and time scales of coupled water-protein fluctuations

Tanping Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Chemistry, Physical

Probing polar solvation dynamics in proteins: A molecular dynamics simulation analysis

Andrei A. Golosov et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity

Nicolas Giovambattista et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2007)

Article Chemistry, Physical

Entropy of water in the hydration layer of major and minor grooves of DNA

Biman Jana et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

Dynamics of water confined in the interdomain region of a multidomain protein

L Hua et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Biochemistry & Molecular Biology

Multistate folding of the villin headpiece domain

YF Tang et al.

JOURNAL OF MOLECULAR BIOLOGY (2006)

Article Chemistry, Physical

Femtosecond study of partially folded states of cytochrome C by solvation dynamics

K Sahu et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Review Chemistry, Multidisciplinary

Scalable molecular dynamics with NAMD

JC Phillips et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Medicinal

High-density hydration layer of lysozymes: Molecular dynamics decomposition of solution scattering data

F Merzel et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)

Article Chemistry, Physical

Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales

ST Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Chemistry, Physical

Signatures of the hydrogen bonding in the infrared bands of water

JB Brubach et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Multidisciplinary

Sensitivity of polar solvation dynamics to the secondary structures of aqueous proteins and the role of surface exposure of the probe

S Bandyopadhyay et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Review Chemistry, Multidisciplinary

Water dynamics in the hydration layer around proteins and micelles

B Bagchi

CHEMICAL REVIEWS (2005)

Review Chemistry, Multidisciplinary

Dynamics of water in biological recognition

SK Pal et al.

CHEMICAL REVIEWS (2004)

Article Biology

Protein hydration dynamics in solution: a critical survey

B Halle

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2004)

Article Chemistry, Physical

Molecular dynamics simulations of staphylococcal nuclease: Properties of water at the protein surface

N Smolin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

Article Chemistry, Physical

Solvation dynamics in the molten globule state of a protein

P Sen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

Article Chemistry, Multidisciplinary

Thermodynamic contributions of the ordered water molecule in HIV-1 protease

Z Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Physical

Biological water: Femtosecond dynamics of macromolecular hydration

SK Pal et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2002)

Article Chemistry, Physical

Protein hydration water: Structure and thermodynamics.

JC Smith et al.

JOURNAL OF MOLECULAR LIQUIDS (2002)

Review Chemistry, Physical

Molecular dynamics of water at the protein-solvent interface

AR Bizzarri et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2002)

Article Chemistry, Multidisciplinary

Water rotational relaxation and diffusion in hydrated lysozyme

M Marchi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Article Physics, Multidisciplinary

Role of protein-water hydrogen bond dynamics in the protein dynamical transition

M Tarek et al.

PHYSICAL REVIEW LETTERS (2002)

Article Multidisciplinary Sciences

Relationship between structural order and the anomalies of liquid water

JR Errington et al.

NATURE (2001)