Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations

Federico A. Olivieri, Osvaldo Burastero, Salvador I. Drusin, Lucas A. Defelipe, Diana E. Wetzler, Adrian Gustavo Turjanski, Marcelo A. Marti. Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. Journal of Chemical Information and Computer Sciences, 60(2):833-842, 2020. [doi]

Authors

Federico A. Olivieri

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Osvaldo Burastero

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Salvador I. Drusin

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Lucas A. Defelipe

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Diana E. Wetzler

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Adrian Gustavo Turjanski

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Marcelo A. Marti

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