Prediction of allosteric communication pathways in proteins
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 …
article, we present a computational model to predict paths of maximum information transfer …
Dynamic correlations: exact and approximate methods for mutual information
K Demirtaş, B Erman, T Haliloğlu - Bioinformatics, 2024 - academic.oup.com
Motivation Proteins are dynamic entities that undergo conformational changes critical for
their functions. Understanding the communication pathways and information transfer within …
their functions. Understanding the communication pathways and information transfer within …
Role of Mutations of Mitochondrial Aminoacyl-tRNA Synthetases Genes on Epileptogenesis
L Kong, Y Wu, R Cheng, P Wang, B Peng - Molecular Neurobiology, 2023 - Springer
Mitochondria are the structures in cells that are responsible for producing energy. They
contain a specific translation unit for synthesizing mitochondria-encoded respiratory chain …
contain a specific translation unit for synthesizing mitochondria-encoded respiratory chain …
Probing the structure of human tRNA 3 Lys in the presence of ligands using docking, MD simulations and MSM analysis
The tRNA3Lys, which acts as a primer for human immunodeficiency virus type 1 (HIV-1)
reverse transcription, undergoes structural changes required for the formation of a primer …
reverse transcription, undergoes structural changes required for the formation of a primer …
Study of the Allosteric Mechanism of Human Mitochondrial Phenylalanyl-tRNA Synthetase by Transfer Entropy via an Improved Gaussian Network Model and Co …
Z Han, X Wang, Z Wu, C Li - The Journal of Physical Chemistry …, 2023 - ACS Publications
We propose an improved transfer entropy approach called the dynamic version of the force
constant fitted Gaussian network model based on molecular dynamics ensemble …
constant fitted Gaussian network model based on molecular dynamics ensemble …