[HTML][HTML] Biophysical and computational methods to analyze amino acid interaction networks in proteins

KF O'Rourke, SD Gorman, DD Boehr - Computational and structural …, 2016 - Elsevier
Globular proteins are held together by interacting networks of amino acid residues. A
number of different structural and computational methods have been developed to …

Sequence evolution correlates with structural dynamics

Y Liu, I Bahar - Molecular biology and evolution, 2012 - academic.oup.com
Biochemical activity and core stability are essential properties of proteins, maintained
usually by conserved amino acids. Structural dynamics emerged in recent years as another …

Network-based models as tools hinting at nonevident protein functionality

C Atilgan, OB Okan, AR Atilgan - Annual review of biophysics, 2012 - annualreviews.org
Network-based models of proteins are popular tools employed to determine dynamic
features related to the folded structure. They encompass all topological and geometric …

Protein superfolds are characterised as frustration-free topologies: A case study of pure parallel β-sheet topologies

H Murata, K Toko, G Chikenji - PLOS Computational Biology, 2024 - journals.plos.org
A protein superfold is a type of protein fold that is observed in at least three distinct, non-
homologous protein families. Structural classification studies have revealed a limited …

Local motifs in proteins combine to generate global functional moves

AR Atilgan, C Atilgan - Briefings in functional genomics, 2012 - academic.oup.com
Literature on the topological properties of folded proteins that has emerged as a field in its
own right in the past decade is reviewed. Physics-based construction of coarse-grained …

Characteristics analyses and comparisons of the protein structure networks constructed by different methods

S Cheng, HL Fu, DX Cui - Interdisciplinary Sciences: Computational Life …, 2016 - Springer
Protein structure networks (PSNs) were widely used in analyses of protein structure and
function. In this work, we analyzed and compared the characters of PSNs by different …

Estimating the designability of protein structures

F Pan, Y Zhang, X Liu, J Zhang - bioRxiv, 2021 - biorxiv.org
The total number of amino acid sequences that can fold to a target protein structure, known
as “designability”, is a fundamental property of proteins that contributes to their structure and …

Polygons in restricted geometries subjected to infinite forces

NR Beaton, JW Eng, CE Soteros - Journal of Physics A …, 2016 - iopscience.iop.org
We consider self-avoiding polygons in a restricted geometry, namely an infinite L× M tube in
${{\mathbb {Z}}}^{3} $. These polygons are subjected to a force f, parallel to the infinite axis …

Predicting designability of small proteins from graph features of contact maps

SP Leelananda, RL Jernigan… - Journal of Computational …, 2016 - liebertpub.com
Highly designable structures can be distinguished based on certain geometric graphical
features of the interactions, confirming the fact that the topology of a protein structure and its …

Driving Protein Conformational Cycles in Physiology and Disease:“Frustrated” Amino Acid Interaction Networks Define Dynamic Energy Landscapes: Amino Acid …

RN D'Amico, AM Murray, DD Boehr - BioEssays, 2020 - Wiley Online Library
A general framework by which dynamic interactions within a protein will promote the
necessary series of structural changes, or “conformational cycle,” required for function is …