(Q86801138)

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Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics

scientific article published on 14 September 2012

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Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics (English)

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1 March 2020

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Adrian E Roitberg

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Jason M Swails

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1

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publication date

14 September 2012

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Journal of Chemical Theory and Computation

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volume

8

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issue

11

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page(s)

4393-4404

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DOI

10.1021/CT300512H

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1 March 2020

PubMed publication ID

26605601

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(Q86801138)

Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics

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