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Otaki, Hiroki, Yagi, Kiyoshi, Ishiuchi, Shun-ichi, Fujii, Masaaki, Sugita, Yuji (2016) Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations. The Journal of Physical Chemistry B, 120 (39). 10199-10213 doi:10.1021/acs.jpcb.6b06672

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Reference TypeJournal (article/letter/editorial)
TitleAnharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations
JournalThe Journal of Physical Chemistry B
AuthorsOtaki, HirokiAuthor
Yagi, KiyoshiAuthor
Ishiuchi, Shun-ichiAuthor
Fujii, MasaakiAuthor
Sugita, YujiAuthor
Year2016 (October 6)Volume120
Issue39
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcb.6b06672Search in ResearchGate
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Mindat Ref. ID3887129Long-form Identifiermindat:1:5:3887129:2
GUID0
Full ReferenceOtaki, Hiroki, Yagi, Kiyoshi, Ishiuchi, Shun-ichi, Fujii, Masaaki, Sugita, Yuji (2016) Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations. The Journal of Physical Chemistry B, 120 (39). 10199-10213 doi:10.1021/acs.jpcb.6b06672
Plain TextOtaki, Hiroki, Yagi, Kiyoshi, Ishiuchi, Shun-ichi, Fujii, Masaaki, Sugita, Yuji (2016) Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations. The Journal of Physical Chemistry B, 120 (39). 10199-10213 doi:10.1021/acs.jpcb.6b06672
In(2016, October) The Journal of Physical Chemistry B Vol. 120 (39) American Chemical Society (ACS)

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Otaki, Hiroki, Ishiuchi, Shun-ichi, Fujii, Masaaki, Sugita, Yuji, Yagi, Kiyoshi (2024) Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins. Physical Chemistry Chemical Physics, 26 (13) 9906-9914 doi:10.1039/d4cp00064a
Thomsen, Bo, Kawakami, Tomonori, Shigemoto, Isamu, Sugita, Yuji, Yagi, Kiyoshi (2017) Weight-Averaged Anharmonic Vibrational Analysis of Hydration Structures of Polyamide 6. The Journal of Physical Chemistry B, 121 (24). 6050-6063 doi:10.1021/acs.jpcb.7b00372
Ishiuchi, Shun-ichi, Yamada, Kohei, Chakraborty, Shamik, Yagi, Kiyoshi, Fujii, Masaaki (2013) Gas-phase spectroscopy and anharmonic vibrational analysis of the 3-residue peptide Z-Pro-Leu-Gly-NH2 by the laser desorption supersonic jet technique. Chemical Physics, 419. 145-152 doi:10.1016/j.chemphys.2012.12.038
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