Sharing Data from Molecular Simulations

Mark Abraham; Rossen Apostolov; Jonathan Barnoud; Paul Bauer; Christian Blau; Alexandre M.J.J. Bonvin; Matthieu Chavent; John Chodera; Karmen Čondić-Jurkić; Lucie Delemotte; Helmut Grubmüller; Rebecca J. Howard; E. Joseph Jordan; Erik Lindahl; Samuli Ollila; Jana Selent; Daniel G. A. Smith; Phillip J. Stansfeld; Johanna K.S. Tiemann; Mikael Trellet; Christopher Woods; Artem Zhmurov

doi:10.1021/acs.jcim.9b00665

Sharing Data from Molecular Simulations

Mark Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M.J.J. Bonvin, Matthieu Chavent, John Chodera, Karmen Čondić-Jurkić, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K.S. Tiemann, Mikael TrelletChristopher Woods, Artem Zhmurov

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	English
Journal	Journal of Chemical Information and Modeling
Volume	59
Issue number	10
Pages (from-to)	4093-4099
Number of pages	7
ISSN	1549-9596
DOIs	https://doi.org/10.1021/acs.jcim.9b00665
Publication status	Published - 2019
MoE publication type	A1 Journal article-refereed

Fields of Science

113 Computer and information sciences
1182 Biochemistry, cell and molecular biology

Access to Document

10.1021/acs.jcim.9b00665

Cite this

Abraham, M., Apostolov, R., Barnoud, J., Bauer, P., Blau, C., Bonvin, A. M. J. J., Chavent, M., Chodera, J., Čondić-Jurkić, K., Delemotte, L., Grubmüller, H., Howard, R. J., Jordan, E. J., Lindahl, E., Ollila, S., Selent, J., Smith, D. G. A., Stansfeld, P. J., Tiemann, J. K. S., ... Zhmurov, A. (2019). Sharing Data from Molecular Simulations. Journal of Chemical Information and Modeling, 59(10), 4093-4099. https://doi.org/10.1021/acs.jcim.9b00665

@article{136e4f0624aa43c9a5c4609c1d277a11,

title = "Sharing Data from Molecular Simulations",

keywords = "113 Computer and information sciences, 1182 Biochemistry, cell and molecular biology",

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

year = "2019",

doi = "10.1021/acs.jcim.9b00665",

language = "English",

volume = "59",

pages = "4093--4099",

journal = "Journal of Chemical Information and Modeling",

issn = "1549-9596",

publisher = "American Chemical Society",

number = "10",

}

Abraham, M, Apostolov, R, Barnoud, J, Bauer, P, Blau, C, Bonvin, AMJJ, Chavent, M, Chodera, J, Čondić-Jurkić, K, Delemotte, L, Grubmüller, H, Howard, RJ, Jordan, EJ, Lindahl, E, Ollila, S, Selent, J, Smith, DGA, Stansfeld, PJ, Tiemann, JKS, Trellet, M, Woods, C & Zhmurov, A 2019, 'Sharing Data from Molecular Simulations', Journal of Chemical Information and Modeling, vol. 59, no. 10, pp. 4093-4099. https://doi.org/10.1021/acs.jcim.9b00665

TY - JOUR

T1 - Sharing Data from Molecular Simulations

AU - Abraham, Mark

AU - Apostolov, Rossen

AU - Barnoud, Jonathan

AU - Bauer, Paul

AU - Blau, Christian

AU - Bonvin, Alexandre M.J.J.

AU - Chavent, Matthieu

AU - Chodera, John

AU - Čondić-Jurkić, Karmen

AU - Delemotte, Lucie

AU - Grubmüller, Helmut

AU - Howard, Rebecca J.

AU - Jordan, E. Joseph

AU - Lindahl, Erik

AU - Ollila, Samuli

AU - Selent, Jana

AU - Smith, Daniel G. A.

AU - Stansfeld, Phillip J.

AU - Tiemann, Johanna K.S.

AU - Trellet, Mikael

AU - Woods, Christopher

AU - Zhmurov, Artem

PY - 2019

Y1 - 2019

KW - 113 Computer and information sciences

KW - 1182 Biochemistry, cell and molecular biology

U2 - 10.1021/acs.jcim.9b00665

DO - 10.1021/acs.jcim.9b00665

M3 - Article

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 -