SenseNet, a tool for analysis of protein structure networks obtained from molecular dynamics simulations

Computational methods play a key role for investigating allosteric mechanisms in proteins, with the potential of generating valuable insights for innovative drug design. Here we present the SenseNet ("Structure ENSEmble NETworks") framework for analysis of protein structure networks, which...

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Veröffentlicht in:	PloS one 2022-03, Vol.17 (3), p.e0265194-e0265194
Hauptverfasser:	Schneider, Markus, Antes, Iris
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Allosteric properties Allosteric Regulation Analysis Binding sites Biology and Life Sciences Computer and Information Sciences Computer applications Domains Drug development Dynamic structural analysis Hydrogen bonds Life sciences Ligands Model accuracy Modelling Molecular dynamics Molecular Dynamics Simulation Molecular structure Network analysis NMR Nuclear magnetic resonance Peptides Physical Sciences Prediction models Protein structure Proteins Proteins - metabolism Reference systems Residues Simulation Structure
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