Allosteric mechanisms are commonly employed regulatory tools used by proteins to
orchestrate complex biochemical processes and control communications in cells. The …

Here, we discuss the principles of allosteric activating mutations, propagation downstream of
the signals that they prompt, and allosteric drugs, with examples from the Ras signaling …

Allosteric communication between distant sites in proteins is central to biological regulation
but still poorly characterized, limiting understanding, engineering and drug development …

The application of genomics to medicine has accelerated the discovery of mutations
underlying disease and has enhanced our knowledge of the molecular underpinnings of …

A fundamental question in protein science is where allosteric hotspots–residues critical for
allosteric signaling–are located, and what properties differentiate them. We carried out deep …

The increase in sequencing capacity, reduction in costs, and national and international
coordinated efforts have led to the widespread introduction of next-generation sequencing …

When nature evolves a gene over eons at scale, it produces a diversity of homologous
sequences with patterns of conservation and change that contain rich structural, functional …

In the current study, multiscale simulation approaches and dynamic network methods are
employed to examine the dynamic and energetic details of conformational landscapes and …

Motivation Allostery in proteins is an essential phenomenon in biological processes. In this
article, we present a computational model to predict paths of maximum information transfer …

We investigated the relationship between mutations and dynamics in Escherichia coli
dihydrofolate reductase (DHFR) using computational methods. Our study focused on the …