Nature achieves differentiation of specific and nonspecific binding in molecular interactions
through precise control of biomolecules in space and time. Artificial systems such as …

Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …

Since the worldwide outbreak of the infectious disease COVID-19, several studies have
been published to understand the structural mechanism of the novel coronavirus SARS-CoV …

Since 2019, severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) causing
coronavirus disease 2019 (COVID‐19) has infected 10 millions of people across the globe …

Crystallography supplies unparalleled detail on structural information critical for mechanistic
analyses; however, it is restricted to describing low energy conformations of …

Here, we present FireDock, an efficient method for the refinement and rescoring of rigid‐
body docking solutions. The refinement process consists of two main steps:(1) …

Proteins tendency to bind to one another in a highly specific manner forming stable
complexes is fundamental to all biological processes. A better understanding of complex …

Proteins are the working horse of the cellular machinery. They are responsible for diverse
functions ranging from molecular motors to signaling. They catalyze reactions, transport …

Structurally conserved residues at protein–protein interfaces correlate with the experimental
alanine-scanning hot spots. Here, we investigate the organization of these conserved …

Many essential biological processes including cell regulation and signalling are mediated
through the assembly of protein complexes. Changes to protein-protein interaction (PPI) …