Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase

@inproceedings{Formoso2015EnergeticsAS,
  title={Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase},
  author={Elena Formoso and Vittorio Limongelli and Michele Parrinello},
  booktitle={Scientific reports},
  year={2015}
}
Adenylate Kinase (AK) is a signal transducing protein that regulates cellular energy homeostasis balancing between different conformations. An alteration of its activity can lead to severe pathologies such as heart failure, cancer and neurodegenerative diseases. A comprehensive elucidation of the large-scale conformational motions that rule the functional mechanism of this enzyme is of great value to guide rationally the development of new medications. Here using a metadynamics-based… CONTINUE READING