MDSPACE: Extracting Continuous Conformational Landscapes from Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation

[Display omitted] •MDSPACE extracts continuous conformational landscapes from single particle datasets.•It uses MD-simulation-based 3D-to-2D flexible fitting of an atomic structure to images.•It refines conformational landscapes using principal motion directions learned iteratively.•Its performance...

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Vydáno v:	Journal of molecular biology Ročník 435; číslo 9; s. 167951
Hlavní autoři:	Vuillemot, Rémi, Mirzaei, Alex, Harastani, Mohamad, Hamitouche, Ilyes, Fréchin, Léo, Klaholz, Bruno P., Miyashita, Osamu, Tama, Florence, Rouiller, Isabelle, Jonic, Slavica
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Netherlands Elsevier Ltd 01.05.2023 Elsevier
Témata:	3D-to-2D flexible fitting Biochemistry, Molecular Biology Bioinformatics Biophysics Computer Science conformational landscapes continuous conformational variability cryo electron microscopy (cryo-EM) Cryoelectron Microscopy - methods Image Processing Life Sciences Machine Learning Modeling and Simulation Molecular biology Molecular Dynamics Simulation molecular dynamics simulation (MD simulation) Protein Conformation Single Molecule Imaging Software Engineering Structural Biology cryo electron microscopy (cryo-EM) 3D-to-2D flexible fitting molecular dynamics simulation (MD simulation) continuous conformational variability conformational landscapes Cryo electron microscopy (cryo-EM) single particle analysis principal component analysis
ISSN:	0022-2836, 1089-8638, 1089-8638
On-line přístup:	Získat plný text
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