Flexible fitting to cryo‐EM density map using ensemble molecular dynamics simulations

Flexible fitting is a computational algorithm to derive a new conformational model that conforms to low‐resolution experimental data by transforming a known structure. A common application is against data from cryo‐electron microscopy to obtain conformational models in new functional states. The con...

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Veröffentlicht in:	Journal of computational chemistry 2017-06, Vol.38 (16), p.1447-1461
Hauptverfasser:	Miyashita, Osamu, Kobayashi, Chigusa, Mori, Takaharu, Sugita, Yuji, Tama, Florence
Format:	Artikel
Sprache:	eng
Schlagworte:	computational hybrid approach cryo‐EM density map flexible fitting algorithm replica exchange X‐ray crystal structures
Online-Zugang:	Volltext
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