Structure, dynamics and reactions of protein hydration water (original) (raw)
Mapping the Energetics of Water–Protein and Water–Ligand Interactions with the “Natural” HINT Forcefield: Predictive Tools for Characterizing the Roles of Water in Biomolecules
andrea mozzarelli
Journal of Molecular Biology, 2006
View PDFchevron_right
Resolving the ambiguity of the dynamics of water and clarifying its role in hydrated proteins
Kia Ngai
Philosophical Magazine, 2011
View PDFchevron_right
Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structures
Robert Harrison
2008
View PDFchevron_right
Statistical and Molecular Dynamics Studies of Buried Waters In Globular Proteins
Sheldon Park
Proteins: Structure, Function, and …, 2005
View PDFchevron_right
Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex
Ricardo Mancera
Molecular Informatics, 2010
View PDFchevron_right
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
Thijs Beuming
Proteins: Structure, Function, and Bioinformatics, 2012
View PDFchevron_right
Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces
Kamran Haider
The Journal of Physical Chemistry B, 2016
View PDFchevron_right
Van der Waals Interactions Dominate Ligand−Protein Association in a Protein Binding Site Occluded from Solvent Water
Richard Bingham
Journal of the American Chemical Society, 2005
View PDFchevron_right
Protein-Water Interactions: A Differential Approach
Vladimir Sirotkin
BOOK. Protein-Water Interactions: A Differential Approach, 2014
View PDFchevron_right
Detection of Ligand Binding to Proteins through Observation of Hydration Water
Nadejda Eremina
View PDFchevron_right
Local Order and Mobility of Water Molecules around Ambivalent Helices
Parbati Biswas
Journal of Physical Chemistry B, 2011
View PDFchevron_right
The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation
Hellfried Schreiber
Proteins: Structure, Function, and Genetics, 1996
View PDFchevron_right
Properties of hydration water and its role in protein dynamics
H. Jansson, Jan Swenson
Journal of Physics: Condensed Matter, 2007
View PDFchevron_right
Water Networks Contribute to Enthalpy/Entropy Compensation in Protein–Ligand Binding
Annie Heroux
Journal of the American Chemical Society, 2013
View PDFchevron_right
2017_Intech_FTIR for hydrated macromolecules.pdf
Maria Grazia Bridelli
View PDFchevron_right
A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins
Rebecca Wade
Biopolymers, 1991
View PDFchevron_right
Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 1. Models without Explicit Constrained Water
andrea mozzarelli
Journal of Medicinal Chemistry, 2002
View PDFchevron_right
Importance of Protein Conformational Motions and Electrostatic Anchoring Sites on the Dynamics and Hydrogen Bond Properties of Hydration Water
Somedatta Pal
Langmuir, 2013
View PDFchevron_right
Protein Hydration Dynamics and Molecular Mechanism of Coupled Water−Protein Fluctuations
Dongping Zhong
Journal of the American Chemical Society, 2009
View PDFchevron_right
Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins
Philip M Dean
Journal of Computer-Aided Molecular Design, 1995
View PDFchevron_right
Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory
Richard Henchman
The Journal of Physical Chemistry B, 2016
View PDFchevron_right
The role of water in protein's behavior: The two dynamical crossovers studied by NMR and FTIR techniques
Francesco Mallamace
Computational and Structural Biotechnology Journal, 2015
View PDFchevron_right
Progressive dry-core-wet-rim hydration trend in a nested-ring topology of protein binding interfaces
Limsoon Wong
BMC Bioinformatics, 2012
View PDFchevron_right
Prediction of the Water Content in Protein Binding Sites
Julian Tirado-rives
The Journal of Physical Chemistry B, 2009
View PDFchevron_right
Decomposition of total solvation energy into core, side-chains and water contributions: Role of cross correlations and protein conformational fluctuations in dynamics of hydration layer
Sayantan Mondal
View PDFchevron_right
Water dynamical anomalies evidenced by molecular-dynamics simulations at the solvent-protein interface
Anna Bizzarri
Physical Review E, 1998
View PDFchevron_right
How Protein Surfaces Induce Anomalous Dynamics of Hydration Water
Massimo Marchi
The Journal of Physical Chemistry B, 2007
View PDFchevron_right
Two dynamic crossovers in protein hydration water and their thermodynamic interpretation
F. Bruni, Kevin Stokely, Giancarlo Franzese
2009
View PDFchevron_right
The Role of the Solvent in the Dynamical Transitions of Proteins: The Case of the Lysozyme-Water System
Eugene Stanley
View PDFchevron_right
H-bonding in protein hydration revisited
M. Petukhov
Protein Science, 2004
View PDFchevron_right
Role of the solvent in the dynamical transitions of proteins: The case of the lysozyme-water system
Carmelo Corsaro
The Journal of Chemical Physics, 2007
View PDFchevron_right
Some thermodynamical aspects of protein hydration water
Cirino Salvatore Vasi
The Journal of Chemical Physics, 2015
View PDFchevron_right
Nature of the water specific relaxation in hydrated proteins and aqueous mixtures
Kia Ngai
Chemical Physics, 2013
View PDFchevron_right