Related papers: Water drives peptide conformational transitions
Turbulence is a widely observed state of fluid flows, characterized by complex, nonlinear interactions between motions across a broad spectrum of length and time scales. While turbulence is ubiquitous, from teacups to planetary atmospheres,…
Molecular dynamics computer simulations are used to investigate thedynamics of a binary mixture of charged (Yukawa) particles with a size-ratio of 1:5. We find that the system undergoes a phase transition where the large particles…
We report the structure of transient fluctuations in the liquid phase of a two-dimensional system that exhibits several ordered phases with different symmetries. The density-temperature phase diagram of the system studied, composed of…
The folding dynamics of small single-domain proteins is a current focus of simulations and experiments. Many of these proteins are 'two-state folders', i.e. proteins that fold rather directly from the denatured state to the native state,…
A simple model of globular proteins which incorporates anisotropic attractions is proposed. It is closely related to models used to model simple hydrogen-bonding molecules such as water. Theories for both the fluid and solid phases are…
Transitions between metabasins in supercooled liquids seem to occur through rapid "democratic" collective particle rearrangements. Here we show that this apparent homogeneous particle motion is a direct consequence of dynamic facilitation.…
A highly diluted aqueous solution of histamine was studied by molecular dynamics using the TIP3P and SPC/E water models. It was shown that the local structure of the solution around histamine is determined by local Coulomb interactions and…
We study the effect of membrane proteins on the shape, composition and thermodynamic stability of the surrounding membrane. When the coupling between membrane composition and curvature is strong enough the nearby composition and shape both…
A general system of particles (of one or several species) on a one dimensional lattice with boundaries is considered. Two general behaviors of such systems are investigated. The stationary behavior of the system, and the dominant way of the…
The impact dynamics between wet surfaces, which dominates the mechanical properties of wet granular matter, is studied both experimentally and theoretically. It is shown that the hysteretic formation and rupture of liquid capillary bridges…
A hydrophilic liquid, such as water, forms hydrogen bonds with a hydrophilic substrate. The strength and locality of the hydrogen bonding interactions prohibit slip of the liquid over the substrate. The question then arises how the contact…
A flux of ideal fluid coupled to perturbation is investigated by nonperturbative methods of the quantum field theory. Asymptotic behavior of the flux coupled to perturbation turns out to be similiar to that of superfluids.
Membrane pores are implicated in several critical functions, including cell fusion and the transport of signaling molecules for intercellular communication. However, these structural features are often difficult to probe directly. Droplet…
We reveal that the mechanical pulsation of locally synchronised particles is a generic route to propagate deformation waves. We consider a model of dense repulsive particles whose activity drives periodic change in size of each individual.…
Three-dimensional, time-dependent direct simulations of step emulsification micro-devices highlight two essential mechanisms for droplet formation: first, the onset of an adverse pressure gradient driving a back-flow of the continuous phase…
Despite its relevance in biology and engineering, the molecular mechanism driving cavitation in water remains unknown. Using computer simulations, we investigate the structure and dynamics of vapor bubbles emerging from metastable water at…
We use state-of-the-art molecular dynamics simulations to study hydrodynamic effects on aging during kinetics of phase separation in a fluid mixture. The domain growth law shows a crossover from a diffusive regime to a viscous hydrodynamic…
Molecular dynamics simulations have revealed a dramatic increase, with increasing temperature, of the amplitude of electrostatic fluctuations caused by water at the active site of metalloprotein plastocyanin. The increased breadth of…
Bifurcation properties, stability behavior, dynamics, and the heat transfer of convection structures in a horizontal fluid layer that is driven away from thermal equilibrium by imposing a vertical temperature difference are compared with…
We propose a hydrodynamic theory to examine the emergence of contraction waves in dense active liquids composed of pulsating deformable particles. Our theory couples the liquid density with a chemical phase that determines the periodic…