The interactions of a protein, its phase behavior, and, ultimately, its ability to function are all influenced by the interactions between the protein and its hydration waters. Here, we study proteins with a variety of sizes, shapes, chemistries, and biological functions and characterize their interactions with their hydration waters using molecular simulations and enhanced sampling techniques. We find that, akin to extended hydrophobic surfaces, proteins situate their hydration waters at the edge of a dewetting transition, making them susceptible to unfavorable perturbations. We also find that the strength of the unfavorable potential needed to trigger dewetting is roughly the same for all proteins studied here and depends primarily on the...
Extensive molecular dynamics (MD) simulations have been used to characterize the multiple roles of w...
AbstractRecent work has shown that the hydrophobic protein surfaces in aqueous solution sit near a d...
Protein interactions play an important role in various biological processes, such as cell signaling,...
Water, despite being a driving force in biochemical processes, has an elusively complex microscopic ...
Water near extended hydrophobic surfaces is like that at a liquid–vapor interface, where fluctuation...
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluc-tuations in wat...
Hydrophobicity - the aversion of liquid water to surfaces - is a key property property of proteins, ...
Water, despite being a driving force in biochemical processes, has an elusively complex microscopic ...
Hydrophobicity - the aversion of liquid water to surfaces - is a key property property of proteins, ...
We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of th...
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the ...
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the ...
Most proteins have evolved to function optimally in aqueous environments, and the interactions betwe...
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with t...
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with t...
Extensive molecular dynamics (MD) simulations have been used to characterize the multiple roles of w...
AbstractRecent work has shown that the hydrophobic protein surfaces in aqueous solution sit near a d...
Protein interactions play an important role in various biological processes, such as cell signaling,...
Water, despite being a driving force in biochemical processes, has an elusively complex microscopic ...
Water near extended hydrophobic surfaces is like that at a liquid–vapor interface, where fluctuation...
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluc-tuations in wat...
Hydrophobicity - the aversion of liquid water to surfaces - is a key property property of proteins, ...
Water, despite being a driving force in biochemical processes, has an elusively complex microscopic ...
Hydrophobicity - the aversion of liquid water to surfaces - is a key property property of proteins, ...
We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of th...
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the ...
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the ...
Most proteins have evolved to function optimally in aqueous environments, and the interactions betwe...
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with t...
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with t...
Extensive molecular dynamics (MD) simulations have been used to characterize the multiple roles of w...
AbstractRecent work has shown that the hydrophobic protein surfaces in aqueous solution sit near a d...
Protein interactions play an important role in various biological processes, such as cell signaling,...