Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …

Complex coacervation is an associative, liquid–liquid phase separation that can occur in
solutions of oppositely-charged macromolecular species, such as proteins, polymers, and …

Abstract The Adaptive Poisson–Boltzmann Solver (APBS) software was developed to solve
the equations of continuum electrostatics for large biomolecular assemblages that have …

Differently from passive Brownian particles, active particles, also known as self-propelled
Brownian particles or microswimmers and nanoswimmers, are capable of taking up energy …

The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

To investigate the evolution of SARS-CoV-2 in the immune population, we co-incubated
authentic virus with a highly neutralizing plasma from a COVID-19 convalescent patient. The …

Building on their dual functionality for solar photothermal absorption and storage,
slurries/dispersions of micro/nano-encapsulated phase-change materials (ePCMs) are …

Out of equilibrium, a lack of reciprocity is the rule rather than the exception. Non-reciprocity
occurs, for instance, in active matter,,,,–, non-equilibrium systems,–, networks of neurons …

A new and very general technique for simulating solid–fluid suspensions is described; its
most important feature is that the computational cost scales linearly with the number of …