Coarse-Grained Modeling and Molecular Dynamics Simulations of Ca2+-Calmodulin

Coarse-Grained Modeling and Molecular Dynamics Simulations of Ca2+-Calmodulin

Calmodulin (CaM) is a calcium-binding protein that transduces signals to downstream proteins through target binding upon calcium binding in a time-dependent manner. Understanding the target binding process that tunes CaM’s affinity for the calcium ions (Ca2+), or vice versa, may provide insight into...

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Bibliographic Details
Main Authors: Jules Nde, Pengzhi Zhang, Jacob C. Ezerski, Wei Lu, Kaitlin Knapp, Peter G. Wolynes, Margaret S. Cheung
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-08-01
Series:Frontiers in Molecular Biosciences
Subjects:
calmodulin dynamics
calcium-binding protein
conformational changes
intrinsic disorder
AWSEM
community model
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2021.661322/full

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