(Q50481636)

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Direct absolute pKa predictions and proton transfer mechanisms of small molecules in aqueous solution by QM/MM-MD.

scientific article published on 8 May 2013

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23600447

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23600447%20AND%20SRC:MED&resulttype=core&format=json

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29 February 2020

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Direct absolute pKa predictions and proton transfer mechanisms of small molecules in aqueous solution by QM/MM-MD (English)

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23600447

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23600447%20AND%20SRC:MED&resulttype=core&format=json

29 February 2020

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23600447

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29 February 2020

author name string

Tae Hoon Choi

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2

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23600447

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29 February 2020

Cheol Ho Choi

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3

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23600447

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29 February 2020

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8 May 2013

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23600447

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29 February 2020

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Journal of Physical Chemistry B

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23600447

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29 February 2020

volume

117

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23600447

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29 February 2020

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20

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23600447

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29 February 2020

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6269-6275

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(Q50481636)

Direct absolute pKa predictions and proton transfer mechanisms of small molecules in aqueous solution by QM/MM-MD.

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