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Both structures were gradually heated to 300 K for 150 ps and additional 6 ns was performed for data collection.
10 ns unrestrained production runs were performed for data collection using Hamiltonian-exchange Langevin dynamics with a 2 fs time-step in the NPT ensemble with the Parrinello Rahman pressure coupling scheme.
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KL took part in designing the study, was responsible for data collection, performed the statistical analysis and drafted the manuscript.
DK contributed to the study design, was responsible for data collection, performed the data analysis, and wrote the first draft of the manuscript.
NO was responsible for data collection, performed statistical analyses (with contributions of JB) and drafted the first version of the manuscript.
AL was responsible for data collection and performed the statistical analysis, interpreted the data and drafted the manuscript.
APV, EWS designed the study; UT and EWS performed the analysis; AH was responsible for data collection; UT was responsible for writing the manuscript; SMABZ, APV, EWS and BWK critically read and approved the manuscript; AH and BWK guaranteed the study.
AS and WB were responsible for data collection, and JZ performed the statistical analysis.
There are two needs that would enhance our ability to perform meaningful data analysis: a common framework for data collection and an efficient means of data collection and analysis.
We thank Madalena Zlovotska for data collection and Mr Dimitrios Βoulamatsis for performing the statistical tests.
for data collection.
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CEO of Professional Science Editing for Scientists @ prosciediting.com