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Showing 1 to 12 of 24 entries
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Improved PEP-FOLD Approach for Peptide and Miniprotein Structure Prediction.

Journal of chemical theory and computation

Shen Y, Maupetit J, Derreumaux P, Tufféry P.
PMID: 26588162
J Chem Theory Comput. 2014 Oct 14;10(10):4745-58. doi: 10.1021/ct500592m.

Peptides and mini proteins have many biological and biomedical implications, which motivates the development of accurate methods, suitable for large-scale experiments, to predict their experimental or native conformations solely from sequences. In this study, we report PEP-FOLD2, an improved...

Pixel: a content management platform for quantitative omics data.

PeerJ

Denecker T, Durand W, Maupetit J, Hébert C, Camadro JM, Poulain P, Lelandais G.
PMID: 30944779
PeerJ. 2019 Mar 27;7:e6623. doi: 10.7717/peerj.6623. eCollection 2019.

BACKGROUND: In biology, high-throughput experimental technologies, also referred as "omics" technologies, are increasingly used in research laboratories. Several thousands of gene expression measurements can be obtained in a single experiment. Researchers are routinely facing the challenge to annotate, store,...

Precision Measurement of Cosmic-Ray Nitrogen and its Primary and Secondary Components with the Alpha Magnetic Spectrometer on the International Space Station.

Physical review letters

Aguilar M, Ali Cavasonza L, Alpat B, Ambrosi G, Arruda L, Attig N, Aupetit S, Azzarello P, Bachlechner A, Barao F, Barrau A, Barrin L, Bartoloni A, Basara L, Başeğmez-du Pree S, Battarbee M, Battiston R, Becker U, Behlmann M, Beischer B, Berdugo J, Bertucci B, Bindel KF, Bindi V, de Boer W, Bollweg K, Bonnivard V, Borgia B, Boschini MJ, Bourquin M, Bueno EF, Burger J, Burger WJ, Cai XD, Capell M, Caroff S, Casaus J, Castellini G, Cervelli F, Chang YH, Chen AI, Chen GM, Chen HS, Chen Y, Cheng L, Chou HY, Choumilov E, Choutko V, Chung CH, Clark C, Clavero R, Coignet G, Consolandi C, Contin A, Corti C, Creus W, Crispoltoni M, Cui Z, Dadzie K, Dai YM, Datta A, Delgado C, Della Torre S, Demirköz MB, Derome L, Di Falco S, Dimiccoli F, Díaz C, von Doetinchem P, Dong F, Donnini F, Duranti M, Egorov A, Eline A, Eronen T, Feng J, Fiandrini E, Fisher P, Formato V, Galaktionov Y, Gallucci G, García-López RJ, Gargiulo C, Gast H, Gebauer I, Gervasi M, Ghelfi A, Giovacchini F, Gómez-Coral DM, Gong J, Goy C, Grabski V, Grandi D, Graziani M, Guo KH, Haino S, Han KC, He ZH, Heil M, Hsieh TH, Huang H, Huang ZC, Incagli M, Jia Y, Jinchi H, Kanishev K, Khiali B, Kirn T, Konak C, Kounina O, Kounine A, Koutsenko V, Kulemzin A, La Vacca G, Laudi E, Laurenti G, Lazzizzera I, Lebedev A, Lee HT, Lee SC, Leluc C, Li HS, Li JQ, Li Q, Li TX, Li ZH, Li ZY, Lin CH, Lipari P, Lippert T, Liu D, Liu H, Liu Z, Lordello VD, Lu SQ, Lu YS, Luebelsmeyer K, Luo F, Luo JZ, Lyu SS, Machate F, Mañá C, Marín J, Martin T, Martínez G, Masi N, Maurin D, Menchaca-Rocha A, Meng Q, Mikuni VM, Mo DC, Mott P, Mussolin L, Nelson T, Ni JQ, Nikonov N, Nozzoli F, Oliva A, Orcinha M, Palermo M, Palmonari F, Palomares C, Paniccia M, Pauluzzi M, Pensotti S, Perrina C, Phan HD, Picot-Clemente N, Pilo F, Plyaskin V, Pohl M, Poireau V, Quadrani L, Qi XM, Qin X, Qu ZY, Räihä T, Rancoita PG, Rapin D, Ricol JS, Rosier-Lees S, Rozhkov A, Rozza D, Sagdeev R, Schael S, Schmidt SM, Schulz von Dratzig A, Schwering G, Seo ES, Shan BS, Shi JY, Siedenburg T, Song JW, Tacconi M, Tang XW, Tang ZC, Tescaro D, Tian J, Ting SCC, Ting SM, Tomassetti N, Torsti J, Urban T, Vagelli V, Valente E, Valtonen E, Vázquez Acosta M, Vecchi M, Velasco M, Vialle JP, Wang LQ, Wang NH, Wang QL, Wang X, Wang XQ, Wang ZX, Wei CC, Wei J, Weng ZL, Whitman K, Wu H, Xiong RQ, Xu W, Yan Q, Yang M, Yang Y, Yi H, Yu YJ, Yu ZQ, Zannoni M, Zeissler S, Zhang C, Zhang F, Zhang J, Zhang JH, Zhang SW, Zhang Z, Zheng ZM, Zhuang HL, Zhukov V, Zichichi A, Zimmermann N, Zuccon P.
PMID: 30118280
Phys Rev Lett. 2018 Aug 03;121(5):051103. doi: 10.1103/PhysRevLett.121.051103.

A precision measurement of the nitrogen flux with rigidity (momentum per unit charge) from 2.2 GV to 3.3 TV based on 2.2×10^{6} events is presented. The detailed rigidity dependence of the nitrogen flux spectral index is presented for the...

Observation of Complex Time Structures in the Cosmic-Ray Electron and Positron Fluxes with the Alpha Magnetic Spectrometer on the International Space Station.

Physical review letters

Aguilar M, Cavasonza LA, Ambrosi G, Arruda L, Attig N, Aupetit S, Azzarello P, Bachlechner A, Barao F, Barrau A, Barrin L, Bartoloni A, Basara L, Başeğmez-du Pree S, Battarbee M, Battiston R, Becker U, Behlmann M, Beischer B, Berdugo J, Bertucci B, Bindel KF, Bindi V, de Boer W, Bollweg K, Bonnivard V, Borgia B, Boschini MJ, Bourquin M, Bueno EF, Burger J, Cadoux F, Cai XD, Capell M, Caroff S, Casaus J, Castellini G, Cervelli F, Chae MJ, Chang YH, Chen AI, Chen GM, Chen HS, Chen Y, Cheng L, Chou HY, Choumilov E, Choutko V, Chung CH, Clark C, Clavero R, Coignet G, Consolandi C, Contin A, Corti C, Creus W, Crispoltoni M, Cui Z, Dadzie K, Dai YM, Datta A, Delgado C, Della Torre S, Demirköz MB, Derome L, Di Falco S, Dimiccoli F, Díaz C, von Doetinchem P, Dong F, Donnini F, Duranti M, D'Urso D, Egorov A, Eline A, Eronen T, Feng J, Fiandrini E, Fisher P, Formato V, Galaktionov Y, Gallucci G, García-López RJ, Gargiulo C, Gast H, Gebauer I, Gervasi M, Ghelfi A, Giovacchini F, Gómez-Coral DM, Gong J, Goy C, Grabski V, Grandi D, Graziani M, Guo KH, Haino S, Han KC, He ZH, Heil M, Hsieh TH, Huang H, Huang ZC, Huh C, Incagli M, Ionica M, Jang WY, Jia Y, Jinchi H, Kang SC, Kanishev K, Khiali B, Kim GN, Kim KS, Kirn T, Konak C, Kounina O, Kounine A, Koutsenko V, Kulemzin A, La Vacca G, Laudi E, Laurenti G, Lazzizzera I, Lebedev A, Lee HT, Lee SC, Leluc C, Li HS, Li JQ, Li Q, Li TX, Li ZH, Li ZY, Lim S, Lin CH, Lipari P, Lippert T, Liu D, Liu H, Lordello VD, Lu SQ, Lu YS, Luebelsmeyer K, Luo F, Luo JZ, Lyu SS, Machate F, Mañá C, Marín J, Martin T, Martínez G, Masi N, Maurin D, Menchaca-Rocha A, Meng Q, Mikuni VM, Mo DC, Mott P, Nelson T, Ni JQ, Nikonov N, Nozzoli F, Oliva A, Orcinha M, Palermo M, Palmonari F, Palomares C, Paniccia M, Pauluzzi M, Pensotti S, Perrina C, Phan HD, Picot-Clemente N, Pilo F, Pizzolotto C, Plyaskin V, Pohl M, Poireau V, Quadrani L, Qi XM, Qin X, Qu ZY, Räihä T, Rancoita PG, Rapin D, Ricol JS, Rosier-Lees S, Rozhkov A, Rozza D, Sagdeev R, Schael S, Schmidt SM, von Dratzig AS, Schwering G, Seo ES, Shan BS, Shi JY, Siedenburg T, Son D, Song JW, Tacconi M, Tang XW, Tang ZC, Tescaro D, Ting SCC, Ting SM, Tomassetti N, Torsti J, Türkoğlu C, Urban T, Vagelli V, Valente E, Valtonen E, Vázquez Acosta M, Vecchi M, Velasco M, Vialle JP, Wang LQ, Wang NH, Wang QL, Wang X, Wang XQ, Wang ZX, Wei CC, Weng ZL, Whitman K, Wu H, Wu X, Xiong RQ, Xu W, Yan Q, Yang J, Yang M, Yang Y, Yi H, Yu YJ, Yu ZQ, Zannoni M, Zeissler S, Zhang C, Zhang F, Zhang J, Zhang JH, Zhang SW, Zhang Z, Zheng ZM, Zhuang HL, Zhukov V, Zichichi A, Zimmermann N, Zuccon P.
PMID: 30118287
Phys Rev Lett. 2018 Aug 03;121(5):051102. doi: 10.1103/PhysRevLett.121.051102.

We present high-statistics, precision measurements of the detailed time and energy dependence of the primary cosmic-ray electron flux and positron flux over 79 Bartels rotations from May 2011 to May 2017 in the energy range from 1 to 50...

Photochemistry of Fe:H.

The journal of physical chemistry. A

Deguin V, Mascetti J, Simon A, Ben Amor N, Aupetit C, Latournerie S, Noble JA.
PMID: 29240421
J Phys Chem A. 2018 Jan 18;122(2):529-542. doi: 10.1021/acs.jpca.7b09681. Epub 2018 Jan 05.

The photochemistry of Fe:H

Precision Measurement of the Boron to Carbon Flux Ratio in Cosmic Rays from 1.9 GV to 2.6 TV with the Alpha Magnetic Spectrometer on the International Space Station.

Physical review letters

Aguilar M, Ali Cavasonza L, Ambrosi G, Arruda L, Attig N, Aupetit S, Azzarello P, Bachlechner A, Barao F, Barrau A, Barrin L, Bartoloni A, Basara L, Başeğmez-du Pree S, Battarbee M, Battiston R, Becker U, Behlmann M, Beischer B, Berdugo J, Bertucci B, Bindel KF, Bindi V, Boella G, de Boer W, Bollweg K, Bonnivard V, Borgia B, Boschini MJ, Bourquin M, Bueno EF, Burger J, Cadoux F, Cai XD, Capell M, Caroff S, Casaus J, Castellini G, Cervelli F, Chae MJ, Chang YH, Chen AI, Chen GM, Chen HS, Cheng L, Chou HY, Choumilov E, Choutko V, Chung CH, Clark C, Clavero R, Coignet G, Consolandi C, Contin A, Corti C, Creus W, Crispoltoni M, Cui Z, Dai YM, Delgado C, Della Torre S, Demakov O, Demirköz MB, Derome L, Di Falco S, Dimiccoli F, Díaz C, von Doetinchem P, Dong F, Donnini F, Duranti M, D'Urso D, Egorov A, Eline A, Eronen T, Feng J, Fiandrini E, Finch E, Fisher P, Formato V, Galaktionov Y, Gallucci G, García B, García-López RJ, Gargiulo C, Gast H, Gebauer I, Gervasi M, Ghelfi A, Giovacchini F, Goglov P, Gómez-Coral DM, Gong J, Goy C, Grabski V, Grandi D, Graziani M, Guo KH, Haino S, Han KC, He ZH, Heil M, Hoffman J, Hsieh TH, Huang H, Huang ZC, Huh C, Incagli M, Ionica M, Jang WY, Jinchi H, Kang SC, Kanishev K, Kim GN, Kim KS, Kirn T, Konak C, Kounina O, Kounine A, Koutsenko V, Krafczyk MS, La Vacca G, Laudi E, Laurenti G, Lazzizzera I, Lebedev A, Lee HT, Lee SC, Leluc C, Li HS, Li JQ, Li JQ, Li Q, Li TX, Li W, Li Y, Li ZH, Li ZY, Lim S, Lin CH, Lipari P, Lippert T, Liu D, Liu H, Lordello VD, Lu SQ, Lu YS, Luebelsmeyer K, Luo F, Luo JZ, Lv SS, Machate F, Majka R, Mañá C, Marín J, Martin T, Martínez G, Masi N, Maurin D, Menchaca-Rocha A, Meng Q, Mikuni VM, Mo DC, Morescalchi L, Mott P, Nelson T, Ni JQ, Nikonov N, Nozzoli F, Oliva A, Orcinha M, Palmonari F, Palomares C, Paniccia M, Pauluzzi M, Pensotti S, Pereira R, Picot-Clemente N, Pilo F, Pizzolotto C, Plyaskin V, Pohl M, Poireau V, Putze A, Quadrani L, Qi XM, Qin X, Qu ZY, Räihä T, Rancoita PG, Rapin D, Ricol JS, Rosier-Lees S, Rozhkov A, Rozza D, Sagdeev R, Sandweiss J, Saouter P, Schael S, Schmidt SM, Schulz von Dratzig A, Schwering G, Seo ES, Shan BS, Shi JY, Siedenburg T, Son D, Song JW, Sun WH, Tacconi M, Tang XW, Tang ZC, Tao L, Tescaro D, Ting SC, Ting SM, Tomassetti N, Torsti J, Türkoğlu C, Urban T, Vagelli V, Valente E, Vannini C, Valtonen E, Vázquez Acosta M, Vecchi M, Velasco M, Vialle JP, Vitale V, Vitillo S, Wang LQ, Wang NH, Wang QL, Wang X, Wang XQ, Wang ZX, Wei CC, Weng ZL, Whitman K, Wienkenhöver J, Wu H, Wu X, Xia X, Xiong RQ, Xu W, Yan Q, Yang J, Yang M, Yang Y, Yi H, Yu YJ, Yu ZQ, Zeissler S, Zhang C, Zhang J, Zhang JH, Zhang SD, Zhang SW, Zhang Z, Zheng ZM, Zhu ZQ, Zhuang HL, Zhukov V, Zichichi A, Zimmermann N, Zuccon P.
PMID: 27982618
Phys Rev Lett. 2016 Dec 02;117(23):231102. doi: 10.1103/PhysRevLett.117.231102. Epub 2016 Nov 28.

Knowledge of the rigidity dependence of the boron to carbon flux ratio (B/C) is important in understanding the propagation of cosmic rays. The precise measurement of the B/C ratio from 1.9 GV to 2.6 TV, based on 2.3 million...

KinVis: a visualization tool to detect cryptic relatedness in genetic datasets.

Bioinformatics (Oxford, England)

Ullah E, Aupetit M, Das A, Patil A, Al Muftah N, Rawi R, Saad M, Bensmail H.
PMID: 30590437
Bioinformatics. 2019 Aug 01;35(15):2683-2685. doi: 10.1093/bioinformatics/bty1028.

MOTIVATION: It is important to characterize individual relatedness in terms of familial relationships and underlying population structure in genome-wide association studies for correct downstream analysis. The characterization of individual relatedness becomes vital if the cohort is to be used...

Dalbavancin in Real Life: Economic Impact of Prescription Timing in French Hospitals.

Infectious diseases and therapy

Béraud G, Maupetit JC, Darras A, Vimont A, Blachier M.
PMID: 34913137
Infect Dis Ther. 2021 Dec 15; doi: 10.1007/s40121-021-00577-6. Epub 2021 Dec 15.

INTRODUCTION: The extended half-life of dalbavancin justifies a once-a-week dosing schedule and is supposed to favour early discharge. These advantages may therefore compensate for the cost of dalbavancin, but no real-life assessment has been conducted to date. We aimed...

Ultrafast electronic relaxations from the S.

Physical chemistry chemical physics : PCCP

Noble JA, Aupetit C, Descamps D, Petit S, Simon A, Mascetti J, Ben Amor N, Blanchet V.
PMID: 30758357
Phys Chem Chem Phys. 2019 Jul 03;21(26):14111-14125. doi: 10.1039/c8cp06895j.

The ultrafast relaxation occurring in pyrene upon excitation at 4.68 eV was studied in a supersonic gas-jet fs pump-probe experiment. Mass spectrometry and velocity map imaging of photoelectrons produced by probing via multiphoton ionisation at 800 nm reveal that...

Observation of Fine Time Structures in the Cosmic Proton and Helium Fluxes with the Alpha Magnetic Spectrometer on the International Space Station.

Physical review letters

Aguilar M, Ali Cavasonza L, Alpat B, Ambrosi G, Arruda L, Attig N, Aupetit S, Azzarello P, Bachlechner A, Barao F, Barrau A, Barrin L, Bartoloni A, Basara L, Başeğmez-du Pree S, Battarbee M, Battiston R, Becker U, Behlmann M, Beischer B, Berdugo J, Bertucci B, Bindel KF, Bindi V, de Boer W, Bollweg K, Bonnivard V, Borgia B, Boschini MJ, Bourquin M, Bueno EF, Burger J, Cadoux F, Cai XD, Capell M, Caroff S, Casaus J, Castellini G, Cervelli F, Chae MJ, Chang YH, Chen AI, Chen GM, Chen HS, Chen Y, Cheng L, Chou HY, Choumilov E, Choutko V, Chung CH, Clark C, Clavero R, Coignet G, Consolandi C, Contin A, Corti C, Creus W, Crispoltoni M, Cui Z, Dadzie K, Dai YM, Datta A, Delgado C, Della Torre S, Demirköz MB, Derome L, Di Falco S, Dimiccoli F, Díaz C, von Doetinchem P, Dong F, Donnini F, Duranti M, D'Urso D, Egorov A, Eline A, Eronen T, Feng J, Fiandrini E, Fisher P, Formato V, Galaktionov Y, Gallucci G, García-López RJ, Gargiulo C, Gast H, Gebauer I, Gervasi M, Ghelfi A, Giovacchini F, Gómez-Coral DM, Gong J, Goy C, Grabski V, Grandi D, Graziani M, Guo KH, Haino S, Han KC, He ZH, Heil M, Hoffman J, Hsieh TH, Huang H, Huang ZC, Huh C, Incagli M, Ionica M, Jang WY, Jia Y, Jinchi H, Kang SC, Kanishev K, Khiali B, Kim GN, Kim KS, Kirn T, Konak C, Kounina O, Kounine A, Koutsenko V, Kulemzin A, La Vacca G, Laudi E, Laurenti G, Lazzizzera I, Lebedev A, Lee HT, Lee SC, Leluc C, Li HS, Li JQ, Li Q, Li TX, Li ZH, Li ZY, Light C, Lim S, Lin CH, Lipari P, Lippert T, Liu D, Liu H, Lordello VD, Lu SQ, Lu YS, Luebelsmeyer K, Luo F, Luo JZ, Luo X, Lyu SS, Machate F, Mañá C, Marín J, Martin T, Martínez G, Masi N, Maurin D, Menchaca-Rocha A, Meng Q, Mikuni VM, Mo DC, Mott P, Nelson T, Ni JQ, Nikonov N, Nozzoli F, Oliva A, Orcinha M, Palermo M, Palmonari F, Palomares C, Paniccia M, Pauluzzi M, Pensotti S, Perrina C, Phan HD, Picot-Clemente N, Pilo F, Pizzolotto C, Plyaskin V, Pohl M, Poireau V, Popkow A, Quadrani L, Qi XM, Qin X, Qu ZY, Räihä T, Rancoita PG, Rapin D, Ricol JS, Rosier-Lees S, Rozhkov A, Rozza D, Sagdeev R, Schael S, Schmidt SM, Schulz von Dratzig A, Schwering G, Seo ES, Shan BS, Shi JY, Siedenburg T, Son D, Song JW, Tacconi M, Tang XW, Tang ZC, Tescaro D, Ting SCC, Ting SM, Tomassetti N, Torsti J, Türkoğlu C, Urban T, Vagelli V, Valente E, Valtonen E, Vázquez Acosta M, Vecchi M, Velasco M, Vialle JP, Wang LQ, Wang NH, Wang QL, Wang X, Wang XQ, Wang ZX, Wei CC, Weng ZL, Whitman K, Wu H, Wu X, Xiong RQ, Xu W, Yan Q, Yang J, Yang M, Yang Y, Yi H, Yu YJ, Yu ZQ, Zannoni M, Zeissler S, Zhang C, Zhang F, Zhang J, Zhang JH, Zhang SW, Zhang Z, Zheng ZM, Zhuang HL, Zhukov V, Zichichi A, Zimmermann N, Zuccon P.
PMID: 30118264
Phys Rev Lett. 2018 Aug 03;121(5):051101. doi: 10.1103/PhysRevLett.121.051101.

We present the precision measurement from May 2011 to May 2017 (79 Bartels rotations) of the proton fluxes at rigidities from 1 to 60 GV and the helium fluxes from 1.9 to 60 GV based on a total of...

Spectroscopic identification of the lithium ion transporting species in LiTFSI-doped ionic liquids.

The journal of physical chemistry. A

Lassègues JC, Grondin J, Aupetit C, Johansson P.
PMID: 19072213
J Phys Chem A. 2009 Jan 08;113(1):305-14. doi: 10.1021/jp806124w.

The solvation of the lithium ion in LiTFSI-doped ionic liquids based on alkyl-substituted imidazolium cations and bis(trifluoromethanesulfonyl)imide anions (TFSI-) was investigated by infrared and Raman spectroscopies. The spectral changes occurring for some TFSI- vibrations sensitive to the lithium coordination...

Mechanistic Insights into Dehydrogenation of Partially Deuterated Ammonia Borane NH.

Inorganic chemistry

Petit JF, Demirci UB.
PMID: 30565454
Inorg Chem. 2019 Jan 07;58(1):489-494. doi: 10.1021/acs.inorgchem.8b02721. Epub 2018 Dec 19.

Ammonia borane NH

Showing 1 to 12 of 24 entries