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"Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics ..."

Marilia T. C. Martins-Costa, Manuel F. Ruiz-López (2017)

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DOI: 10.1002/JCC.24723

access: closed

type: Journal Article

metadata version: 2020-04-01

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Marilia T. C. Martins-Costa, Manuel F. Ruiz-López:
Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling. J. Comput. Chem. 38(10): 659-668 (2017)

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