Double-Well Ultra-Coarse-Grained Model to Describe Protein Conformational Transitions

The double-well model is usually used to describe the conformational transition between two states of a protein. Since conformational changes usually occur within a relatively large time scale, coarse-grained models are often used to accelerate the dynamic process due to their inexpensive computatio...

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Veröffentlicht in:	Journal of chemical theory and computation 2020-10, Vol.16 (10), p.6678-6689
Hauptverfasser:	Zhang, Yuwei, Cao, Zexing, Zhang, John Zenghui, Xia, Fei
Format:	Artikel
Sprache:	eng
Schlagworte:	Biomolecular Systems Free energy Glutamine Kinases Proteins
Online-Zugang:	Volltext
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