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 …
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 …
and drastically alters the function of a catalytic site in a protein. Allostery provides a high …
Hypernetwork science via high-order hypergraph walks
We propose high-order hypergraph walks as a framework to generalize graph-based
network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative …
network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative …
A survey on centrality metrics and their network resilience analysis
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 …
in various networks, such as communication, social, biological, geographic, or contact …
A spatial interaction incorporated betweenness centrality measure
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 …
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?
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 …
anti-epilepsy drugs. In pre-surgical planning, an array of data modalities, often including …
TreeCen: Building tree graph for scalable semantic code clone detection
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 …
software engineering. Many methods have been proposed for detecting code clone, among …
Vector centrality in hypergraphs
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 …
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
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 …
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
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 …
distant sites in the protein responsible for functionality. The binding of a small molecule at an …