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Cellular membranes are elastic lipid bilayers that contain a variety of proteins, including ion channels, receptors, and scaffolding proteins. These proteins are known to diffuse in the plane of the membrane and to influence the bending of…
Accurate prediction of drug-target binding affinity can accelerate drug discovery by prioritizing promising compounds before costly wet-lab screening. While deep learning has advanced this task, most models fuse ligand and protein…
Hydrophobic thickness mismatch between integral membrane proteins and the surrounding lipid bilayer can produce lipid bilayer thickness deformations. Experiment and theory have shown that protein-induced lipid bilayer thickness deformations…
We report surprising morphological changes of suspension droplets (containing class II hydrophobin protein HFBI from Trichoderma reesei and water) as they evaporate with a contact line pinned on a rigid solid substrate. Both pendant and…
We consider two-layers of immiscible liquids confined between an upper and a lower rigid plate. The dynamics of the free liquid-liquid interface is described for arbitrary amplitudes by a single evolution equation derived from the basic…
We perform computer simulations of the quasiliquid layer of ice formed at the ice-vapor interface close to the ice Ih-liquid-vapor triple point of water. Our study shows that the two distinct surfaces bounding the film behave at small…
The assembly of curved protein rods on fluid membranes is studied using implicit-solvent meshless membrane simulations. As the rod curvature increases, the rods on a membrane tube assemble along the azimuthal direction first and…
In fibrous paper materials, an exposure to a variation in moisture content causes changes in the geometrical and mechanical properties. Such changes are strongly affected by the inter-fibre bonds, which are responsible for the transfer of…
Ion hydration and interfacial water play crucial roles in numerous phenomena ranging from biological to industrial systems. Although biologically relevant (and mostly smaller) ions have been studied extensively in this context, very little…
The ability of water to dissolve biomolecules is crucial for our life. It has been shown that protein has a profound effect on the behavior of water in its hydration shell, which in turn affects the structure and function of the protein.…
The interactions of a hydrophilic surface with water can significantly influence the characteristics of the liquid water interface. In this manuscript, we explore this influence by studying the molecular structure of liquid water at a…
We investigated the effect of surfactants on an interface between two kinds of liquid by molecular dynamics simulation. We adopted the simple bead-spring model with two atoms as the surfactants. We controlled the interfacial tension of the…
Using fluorescence microscopy we study the adsorption of single latex microparticles at a water/water interface between demixing aqueous solutions of polymers, generally known as a water-in-water emulsion. Similar microparticles at the…
Lipid bilayer membranes are the fundamental biological barriers that permit life. The bilayer dynamics largely participates in orchestrating cellular workings and is characterized by substantial stability together with extreme plasticity…
We present an experimental study of immiscible, two-phase fluid flow through a three-dimensional porous medium consisting of randomly-packed, monodisperse glass spheres. Our experiments combine refractive-index matching and laser-induced…
This study systematically investigates the dynamics of the bacterial transition from free-swimming to surface adhesion, a process characterized by both height $h$ and inclination angle $\Psi$. The surface entrapment process is divided into…
The structure of polymers at solid interfaces evolves over time, but the corresponding changes in their rheological properties remain poorly understood. Here, using a home-built quartz tuning fork atomic force microscope-based…
Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…
Proteins are the most important biomolecules for living organisms. The understanding of protein structure, function, dynamics and transport is one of most challenging tasks in biological science. In the present work, persistent homology is,…
Water plays a crucial role in geological, biological, and technological processes. Nanoscale water confinement occurs in many of these settings, including sedimentary rocks, water channel proteins, and applications like desalination and…