Emerging methods and applications to decrypt allostery in proteins and nucleic acids

PR Arantes, AC Patel, G Palermo - Journal of molecular biology, 2022 - Elsevier
Many large protein-nucleic acid complexes exhibit allosteric regulation. In these systems,
the propagation of the allosteric signaling is strongly coupled to conformational dynamics …

NMR and computational methods for molecular resolution of allosteric pathways in enzyme complexes

KW East, E Skeens, JY Cui, HB Belato, B Mitchell… - Biophysical …, 2020 - Springer
Allostery is a ubiquitous biological mechanism in which a distant binding site is coupled to
and drastically alters the function of a catalytic site in a protein. Allostery provides a high …

Hypernetwork science via high-order hypergraph walks

SG Aksoy, C Joslyn, CO Marrero, B Praggastis… - EPJ Data …, 2020 - epjds.epj.org
We propose high-order hypergraph walks as a framework to generalize graph-based
network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative …

A survey on centrality metrics and their network resilience analysis

Z Wan, Y Mahajan, BW Kang, TJ Moore, JH Cho - IEEE Access, 2021 - ieeexplore.ieee.org
Centrality metrics have been studied in the network science research. They have been used
in various networks, such as communication, social, biological, geographic, or contact …

A spatial interaction incorporated betweenness centrality measure

X Wu, W Cao, J Wang, Y Zhang, W Yang, Y Liu - Plos one, 2022 - journals.plos.org
Betweenness centrality (BC) is widely used to identify critical nodes in a network by
exploring the ability of all nodes to act as intermediaries for information exchange. However …

An optimal strategy for epilepsy surgery: Disruption of the rich-club?

MA Lopes, MP Richardson, E Abela… - PLoS computational …, 2017 - journals.plos.org
Surgery is a therapeutic option for people with epilepsy whose seizures are not controlled by
anti-epilepsy drugs. In pre-surgical planning, an array of data modalities, often including …

TreeCen: Building tree graph for scalable semantic code clone detection

Y Hu, D Zou, J Peng, Y Wu, J Shan, H Jin - Proceedings of the 37th IEEE …, 2022 - dl.acm.org
Code clone detection is an important research problem that has attracted wide attention in
software engineering. Many methods have been proposed for detecting code clone, among …

Vector centrality in hypergraphs

K Kovalenko, M Romance, E Vasilyeva, D Aleja… - Chaos, Solitons & …, 2022 - Elsevier
Identifying the most influential nodes in networked systems is of vital importance to optimize
their function and control. Several scalar metrics have been proposed to that effect, but the …

Malscan: Fast market-wide mobile malware scanning by social-network centrality analysis

Y Wu, X Li, D Zou, W Yang, X Zhang… - 2019 34th IEEE/ACM …, 2019 - ieeexplore.ieee.org
Malware scanning of an app market is expected to be scalable and effective. However,
existing approaches use either syntax-based features which can be evaded by …

[HTML][HTML] MDiGest: A Python package for describing allostery from molecular dynamics simulations

F Maschietto, B Allen, GW Kyro… - The Journal of Chemical …, 2023 - pubs.aip.org
Many biological processes are regulated by allosteric mechanisms that communicate with
distant sites in the protein responsible for functionality. The binding of a small molecule at an …