Sharing Data from Molecular Simulations

Mark Abraham; Rossen Apostalov; Jonathan Barnoud; Paul Bauer; Christian Blau; Alexander Bonvin; Matthieu Chavent; John Chodera; Karmen Čondić-Jurkić; Lucie Delemotte; Helmut Grubmüller; Rebecca Howard; E Joseph Jordan; Erik Lindahl; O H Samuli Ollila; Jana Selent; Johanna Tiemann; Danial Smith; Phillip Stansfeld; Mikael Trellet; Christopher J Woods; Artem Zhmurov

Sharing Data from Molecular Simulations

Mark Abraham, Rossen Apostalov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexander Bonvin, Matthieu Chavent^*, John Chodera, Karmen Čondić-Jurkić, Lucie Delemotte, Helmut Grubmüller, Rebecca Howard, E Joseph Jordan, Erik Lindahl, O H Samuli Ollila, Jana Selent, Johanna Tiemann, Danial Smith, Phillip Stansfeld, Mikael TrelletChristopher J Woods, Artem Zhmurov

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

Original language	English
Pages (from-to)	4093-4099
Journal	Journal of Chemical Information and Modeling
Volume	59
Issue number	10
Publication status	Published - 17 Sep 2019

Access to Document

https://chemrxiv.org/articles/Sharing_Data_from_Molecular_Simulations/9775493Licence: CC BY-NC-ND

Cite this

Abraham, M., Apostalov, R., Barnoud, J., Bauer, P., Blau, C., Bonvin, A., Chavent, M., Chodera, J., Čondić-Jurkić, K., Delemotte, L., Grubmüller, H., Howard, R., Jordan, E. J., Lindahl, E., Ollila, O. H. S., Selent, J., Tiemann, J., Smith, D., Stansfeld, P., ... Zhmurov, A. (2019). Sharing Data from Molecular Simulations. Journal of Chemical Information and Modeling, 59(10), 4093-4099. https://chemrxiv.org/articles/Sharing_Data_from_Molecular_Simulations/9775493

Abraham, Mark ; Apostalov, Rossen ; Barnoud, Jonathan ; Bauer, Paul ; Blau, Christian ; Bonvin, Alexander ; Chavent, Matthieu ; Chodera, John ; Čondić-Jurkić, Karmen ; Delemotte, Lucie ; Grubmüller, Helmut ; Howard, Rebecca ; Jordan, E Joseph ; Lindahl, Erik ; Ollila, O H Samuli ; Selent, Jana ; Tiemann, Johanna ; Smith, Danial ; Stansfeld, Phillip ; Trellet, Mikael ; Woods, Christopher J ; Zhmurov, Artem. / Sharing Data from Molecular Simulations. In: Journal of Chemical Information and Modeling. 2019 ; Vol. 59, No. 10. pp. 4093-4099.

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title = "Sharing Data from Molecular Simulations",

author = "Mark Abraham and Rossen Apostalov and Jonathan Barnoud and Paul Bauer and Christian Blau and Alexander Bonvin and Matthieu Chavent and John Chodera and Karmen {\v C}ondi{\'c}-Jurki{\'c} and Lucie Delemotte and Helmut Grubm{\"u}ller and Rebecca Howard and Jordan, {E Joseph} and Erik Lindahl and Ollila, {O H Samuli} and Jana Selent and Johanna Tiemann and Danial Smith and Phillip Stansfeld and Mikael Trellet and Woods, {Christopher J} and Artem Zhmurov",

year = "2019",

month = sep,

day = "17",

language = "English",

volume = "59",

pages = "4093--4099",

journal = "Journal of Chemical Information and Modeling",

issn = "1549-9596",

publisher = "American Chemical Society",

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Abraham, M, Apostalov, R, Barnoud, J, Bauer, P, Blau, C, Bonvin, A, Chavent, M, Chodera, J, Čondić-Jurkić, K, Delemotte, L, Grubmüller, H, Howard, R, Jordan, EJ, Lindahl, E, Ollila, OHS, Selent, J, Tiemann, J, Smith, D, Stansfeld, P, Trellet, M, Woods, CJ & Zhmurov, A 2019, 'Sharing Data from Molecular Simulations', Journal of Chemical Information and Modeling, vol. 59, no. 10, pp. 4093-4099. <https://chemrxiv.org/articles/Sharing_Data_from_Molecular_Simulations/9775493>

Sharing Data from Molecular Simulations. / Abraham, Mark; Apostalov, Rossen; Barnoud, Jonathan; Bauer, Paul; Blau, Christian; Bonvin, Alexander; Chavent, Matthieu; Chodera, John; Čondić-Jurkić, Karmen; Delemotte, Lucie; Grubmüller, Helmut; Howard, Rebecca; Jordan, E Joseph; Lindahl, Erik; Ollila, O H Samuli; Selent, Jana; Tiemann, Johanna; Smith, Danial; Stansfeld, Phillip; Trellet, Mikael; Woods, Christopher J; Zhmurov, Artem.

In: Journal of Chemical Information and Modeling, Vol. 59, No. 10, 17.09.2019, p. 4093-4099.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Sharing Data from Molecular Simulations

AU - Abraham, Mark

AU - Apostalov, Rossen

AU - Barnoud, Jonathan

AU - Bauer, Paul

AU - Blau, Christian

AU - Bonvin, Alexander

AU - Chavent, Matthieu

AU - Chodera, John

AU - Čondić-Jurkić, Karmen

AU - Delemotte, Lucie

AU - Grubmüller, Helmut

AU - Howard, Rebecca

AU - Jordan, E Joseph

AU - Lindahl, Erik

AU - Ollila, O H Samuli

AU - Selent, Jana

AU - Tiemann, Johanna

AU - Smith, Danial

AU - Stansfeld, Phillip

AU - Trellet, Mikael

AU - Woods, Christopher J

AU - Zhmurov, Artem

PY - 2019/9/17

Y1 - 2019/9/17

M3 - Article (Academic Journal)

VL - 59

SP - 4093

EP - 4099

JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

SN - 1549-9596

IS - 10

ER -