NMMD: Efficient Cryo-EM Flexible Fitting Based on Simultaneous Normal Mode and Molecular Dynamics atomic displacements

[Display omitted] •NMMD: new method for flexible fitting of atomic structures into cryo-EM maps.•NMMD efficiently combines normal mode analysis and molecular dynamics simulation.•NMMD was tested using synthetic and experimental cryo-EM maps.•Adding normal modes to molecular dynamics makes the fittin...

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Vydáno v:	Journal of molecular biology Ročník 434; číslo 7; s. 167483
Hlavní autoři:	Vuillemot, Rémi, Miyashita, Osamu, Tama, Florence, Rouiller, Isabelle, Jonic, Slavica
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Netherlands Elsevier Ltd 15.04.2022 Elsevier
Témata:	Biochemistry, Molecular Biology Biophysics Computer Science cryo electron microscopy (cryo-EM) cryo-electron microscopy Cryoelectron Microscopy - methods Crystallography, X-Ray flexible fitting Life Sciences molecular biology Molecular Conformation molecular dynamics Molecular Dynamics Simulation molecular modeling normal mode analysis Protein Conformation Signal and Image Processing Structural Biology X-ray diffraction cryo electron microscopy (cryo-EM) normal mode analysis flexible fitting molecular modeling molecular dynamics simulation replica exchange umbrella sampling Molecular modeling EMfit GENESIS
ISSN:	0022-2836, 1089-8638, 1089-8638
On-line přístup:	Získat plný text
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