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9789 Publications


2019 | Published | Journal Article | IST-REx-ID: 9677 | OA
i-PI 2.0: A universal force engine for advanced molecular simulations
Kapil V, Rossi M, Marsalek O, Petraglia R, Litman Y, Spura T, Cheng B, Cuzzocrea A, Meißner RH, Wilkins DM, Helfrecht BA, Juda P, Bienvenue SP, Fang W, Kessler J, Poltavsky I, Vandenbrande S, Wieme J, Corminboeuf C, Kühne TD, Manolopoulos DE, Markland TE, Richardson JO, Tkatchenko A, Tribello GA, Van Speybroeck V, Ceriotti M. 2019. i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications. 236, 214–223.
[Preprint] View | DOI | Download Preprint (ext.) | arXiv
 

2019 | Published | Journal Article | IST-REx-ID: 9680 | OA
Iterative unbiasing of quasi-equilibrium sampling
F. Giberti, B. Cheng, G.A. Tribello, M. Ceriotti, Journal of Chemical Theory and Computation 16 (2019) 100–107.
[Preprint] View | DOI | Download Preprint (ext.) | PubMed | Europe PMC | arXiv
 

2019 | Published | Journal Article | IST-REx-ID: 9689 | OA
Ab initio thermodynamics of liquid and solid water
B. Cheng, E.A. Engel, J. Behler, C. Dellago, M. Ceriotti, Proceedings of the National Academy of Sciences 116 (2019) 1110–1115.
[Published Version] View | DOI | Download Published Version (ext.) | PubMed | Europe PMC | arXiv
 

2019 | Research Data Reference | IST-REx-ID: 9726 [Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9731 | OA
Additional file 11 of Chlamydia pan-genomic analysis reveals balance between host adaptation and selective pressure to genome reduction
O. Sigalova, A. Chaplin, O. Bochkareva, P. Shelyakin, V. Filaretov, E. Akkuratov, V. Burskaia, M.S. Gelfand, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9783 | OA
Additional file 10 of Chlamydia pan-genomic analysis reveals balance between host adaptation and selective pressure to genome reduction
O.M. Sigalova, A.V. Chaplin, O. Bochkareva, P.V. Shelyakin, V.A. Filaretov, E.E. Akkuratov, V. Burskaia, M.S. Gelfand, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9784 | OA
MOESM1 of Glyphosate does not substitute for glycine in proteins of actively dividing mammalian cells
M.N. Antoniou, A. Nicolas, R. Mesnage, M. Biserni, F.V. Rao, C.V. Martin, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9786
Supporting text and results
J. Ruess, M. Pleska, C.C. Guet, G. Tkačik, (2019).
[Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9789
Multiple alignment of His3 orthologues
V. Pokusaeva, D.R. Usmanova, E.V. Putintseva, L. Espinar, K. Sarkisyan, A.S. Mishin, N.S. Bogatyreva, D. Ivankov, A. Akopyan, S. Avvakumov, I.S. Povolotskaya, G.J. Filion, L.B. Carey, F. Kondrashov, (2019).
[Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9790
A statistical summary of segment libraries and sequencing results
V. Pokusaeva, D.R. Usmanova, E.V. Putintseva, L. Espinar, K. Sarkisyan, A.S. Mishin, N.S. Bogatyreva, D. Ivankov, A. Akopyan, S. Avvakumov, I.S. Povolotskaya, G.J. Filion, L.B. Carey, F. Kondrashov, (2019).
[Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9797
A statistical summary of segment libraries and sequencing results
V. Pokusaeva, D.R. Usmanova, E.V. Putintseva, L. Espinar, K. Sarkisyan, A.S. Mishin, N.S. Bogatyreva, D. Ivankov, A. Akopyan, I.S. Povolotskaya, G.J. Filion, L.B. Carey, F. Kondrashov, (2019).
[Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9801
Raw behavioral data
R.M. Merrill, P. Rastas, S.H. Martin, M.C. Melo Hurtado, S. Barker, J. Davey, W.O. Mcmillan, C.D. Jiggins, (2019).
[Published Version] View | Files available | DOI
 

2019 | Research Data Reference | IST-REx-ID: 9802 | OA [Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9803 | OA [Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9804 | OA
Data from: An integrative genomic analysis of the Longshanks selection experiment for longer limbs in mice
J.P. Castro, M.N. Yancoskie, M. Marchini, S. Belohlavy, L. Hiramatsu, M. Kučka, W.H. Beluch, R. Naumann, I. Skuplik, J. Cobb, N.H. Barton, C. Rolian, Y.F. Chan, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9805 | OA [Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9806 | OA [Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9839 | OA [Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9890 | OA
Additional file 15 of Chlamydia pan-genomic analysis reveals balance between host adaptation and selective pressure to genome reduction
O.M. Sigalova, A.V. Chaplin, O. Bochkareva, P.V. Shelyakin, V.A. Filaretov, E.E. Akkuratov, V. Burskaia, M.S. Gelfand, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

2019 | Research Data Reference | IST-REx-ID: 9892 | OA
Additional file 16 of Chlamydia pan-genomic analysis reveals balance between host adaptation and selective pressure to genome reduction
O.M. Sigalova, A.V. Chaplin, O. Bochkareva, P.V. Shelyakin, V.A. Filaretov, E.E. Akkuratov, V. Burskaia, M.S. Gelfand, (2019).
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 

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