Computational network biology: data, models, and applications
Biological entities are involved in intricate and complex interactions, in which uncovering the
biological information from the network concepts are of great significance. Benefiting from …
biological information from the network concepts are of great significance. Benefiting from …
Large-Scale Conformational Changes and Protein Function: Breaking the in silico Barrier
L Orellana - Frontiers in molecular biosciences, 2019 - frontiersin.org
Large-scale conformational changes are essential to link protein structures with their
function at the cell and organism scale, but have been elusive both experimentally and …
function at the cell and organism scale, but have been elusive both experimentally and …
Distant residues modulate conformational opening in SARS-CoV-2 spike protein
D Ray, L Le, I Andricioaei - Proceedings of the National …, 2021 - National Acad Sciences
Infection by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) involves the
attachment of the receptor-binding domain (RBD) of its spike proteins to the ACE2 receptors …
attachment of the receptor-binding domain (RBD) of its spike proteins to the ACE2 receptors …
Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics …
MCR Melo, RC Bernardi… - The Journal of …, 2020 - pubs.aip.org
Molecular interactions are essential for regulation of cellular processes from the formation of
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
Exploring destination image of dark tourism via analyzing user generated photos: A deep learning approach
Tourism destination image (TDI) in the dark tourism context is considered to be a complex
and controversial, yet rarely studied issue in the literature. This study selected three types of …
and controversial, yet rarely studied issue in the literature. This study selected three types of …
Rational design of allosteric modulators: Challenges and successes
A Chatzigoulas, Z Cournia - Wiley Interdisciplinary Reviews …, 2021 - Wiley Online Library
Recent advances in structural biology and computational techniques have revealed
allosteric mechanisms for an abundance of targets leading to the establishment of rational …
allosteric mechanisms for an abundance of targets leading to the establishment of rational …
Hierarchical multi-view graph pooling with structure learning
Graph Neural Networks (GNNs), whch generalize deep neural networks to graph-structured
data, have drawn considerable attention and achieved state-of-the-art performance in …
data, have drawn considerable attention and achieved state-of-the-art performance in …
Time evolution of the millisecond allosteric activation of imidazole glycerol phosphate synthase
C Calvó-Tusell, MA Maria-Solano… - Journal of the …, 2022 - ACS Publications
Deciphering the molecular mechanisms of enzymatic allosteric regulation requires the
structural characterization of functional states and also their time evolution toward the …
structural characterization of functional states and also their time evolution toward the …
Allosteric motions of the CRISPR–Cas9 HNH nuclease probed by NMR and molecular dynamics
KW East, JC Newton, UN Morzan… - Journal of the …, 2019 - ACS Publications
CRISPR–Cas9 is a widely employed genome-editing tool with functionality reliant on the
ability of the Cas9 endonuclease to introduce site-specific breaks in double-stranded DNA …
ability of the Cas9 endonuclease to introduce site-specific breaks in double-stranded DNA …
Network analysis of international trade in plastic scrap
H Pacini, G Shi, A Sanches-Pereira… - Sustainable Production …, 2021 - Elsevier
This paper contributes to understanding the international trade of plastic scrap. This is done
by structuring trade data in networks, and calculating network centrality indexes for countries …
by structuring trade data in networks, and calculating network centrality indexes for countries …