It has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic property
of all proteins. Here, we develop a computational method that can determine and quantify …

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 …

A fast and approximate method of generating allosteric communication landscapes in
proteins is presented by using Schreiber's entropy transfer concept in combination with the …

We present a dynamic perturbation-response model of proteins based on the Gaussian
Network Model, where a residue is perturbed periodically, and the dynamic response of other …

The Delta variant spreads more rapidly than previous variants of SARS-CoV-2. This variant
comprises several mutations on the receptor-binding domain (RBD Delta ) of its spike …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) enters human cells upon
binding of its spike (S) glycoproteins to ACE2 receptors. Several nanobodies neutralize SARS…

This study focuses on investigating the effects of an oncogenic mutation (G12V) on the stability
and interactions within the KRAS‐RGL1 protein complex. The KRAS‐RGL1 complex is of …

Nanobodies are special derivatives of antibodies, which consist of single domain fragments.
They have become of considerable interest as next-generation biotechnological tools for …

Based on Schreiber’s work on transfer entropy, a molecular theory of nonlinear information
transfer between residue pairs in proteins is developed. The joint distribution function for …

This paper aims to understand the binding strategies of a nanobody‐protein pair by
studying known complexes. Rigid body protein–ligand docking programs produce several …