Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Innate immunity driven by pattern recognition receptor (PRR) protects the host from invading
pathogens. Aquatic animals like fish where the adaptive immunity is poorly developed …

Anton 3 is the newest member in a family of supercomputers specially designed for atomic-
level simulation of molecules relevant to biology (eg, DNA, proteins, and drug molecules) …

Molecular dynamics (MD) simulation is a rigorous theoretical tool that when used efficiently
could provide reliable answers to questions pertaining to the structure-function relationship …

A variety of membraneless organelles, often termed “biological condensates”, play an
important role in the regulation of cellular processes such as gene transcription, translation …

294a Tuesday, February 22, 2022 channel exhibits a domain-swapped relationship
between voltage-sensing and pore domains, with the voltage-sensors in an activated state …

Protein–protein interactions form central elements of almost all cellular processes.
Knowledge of the structure of protein–protein complexes but also of the binding affinity is of …

Protein-based bioactive coatings have emerged as a versatile and promising strategy for
enhancing the performance and biocompatibility of diverse biomedical materials and …

The accuracy of atomistic physics-based force fields for the simulation of biological
macromolecules has typically been benchmarked experimentally using biophysical data …

De novo protein design is a longstanding fundamental goal of synthetic biology, but has
been hindered by the difficulty in reliable prediction of accurate high-resolution protein …