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gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support
Irrgang, M. Eric, Davis, Caroline, Kasson, Peter M.
Published in PLoS computational biology (01.02.2022)
Published in PLoS computational biology (01.02.2022)
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Journal Article
Applications of Protein Secondary Structure Algorithms in SARS-CoV‑2 Research
Kruglikov, Alibek, Rakesh, Mohan, Wei, Yulong, Xia, Xuhua
Published in Journal of proteome research (05.03.2021)
Published in Journal of proteome research (05.03.2021)
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Journal Article
Prevention of thrombosis in pregnant women with suspected SARS‐CoV‐2 infection: clinical management algorithm
Lou‐Mercadé, A. C., Gavín, O., Oros, D., Paules, C., Savirón‐Cornudella, R., Mateo, P., Páramo, J. A., Ruiz‐Martinez, S.
Published in Ultrasound in obstetrics & gynecology (01.07.2020)
Published in Ultrasound in obstetrics & gynecology (01.07.2020)
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Journal Article
An In Silico Head-to-Head Comparison of the Do-It-Yourself Artificial Pancreas Loop and Bio-Inspired Artificial Pancreas Control Algorithms
Armiger, Ryan, Reddy, Monika, Oliver, Nick S., Georgiou, Pantelis, Herrero, Pau
Published in Journal of diabetes science and technology (01.01.2022)
Published in Journal of diabetes science and technology (01.01.2022)
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Journal Article
Ultrarapid On-Site Detection of SARS-CoV‑2 Infection Using Simple ATR-FTIR Spectroscopy and an Analysis Algorithm: High Sensitivity and Specificity
Barauna, Valério G, Singh, Maneesh N, Barbosa, Leonardo Leal, Marcarini, Wena Dantas, Vassallo, Paula Frizera, Mill, Jose Geraldo, Ribeiro-Rodrigues, Rodrigo, Campos, Luciene C. G, Warnke, Patrick H, Martin, Francis L
Published in Analytical chemistry (Washington) (09.02.2021)
Published in Analytical chemistry (Washington) (09.02.2021)
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Journal Article
Python Red Pitaya Lockbox (PyRPL): An open source software package for digital feedback control in quantum optics experiments
Neuhaus, Leonhard, Croquette, Michaël, Metzdorff, Rémi, Chua, Sheon, Jacquet, Pierre-Edouard, Journeaux, Alexandre, Heidmann, Antoine, Briant, Tristan, Jacqmin, Thibaut, Cohadon, Pierre-François, Deléglise, Samuel
Published in Review of scientific instruments (01.03.2024)
Published in Review of scientific instruments (01.03.2024)
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Journal Article
The atomic simulation environment-a Python library for working with atoms
Hjorth Larsen, Ask, Jørgen Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano E, Christensen, Rune, Du ak, Marcin, Friis, Jesper, Groves, Michael N, Hammer, Bjørk, Hargus, Cory, Hermes, Eric D, Jennings, Paul C, Bjerre Jensen, Peter, Kermode, James, Kitchin, John R, Leonhard Kolsbjerg, Esben, Kubal, Joseph, Kaasbjerg, Kristen, Lysgaard, Steen, Bergmann Maronsson, Jón, Maxson, Tristan, Olsen, Thomas, Pastewka, Lars, Peterson, Andrew, Rostgaard, Carsten, Schiøtz, Jakob, Schütt, Ole, Strange, Mikkel, Thygesen, Kristian S, Vegge, Tejs, Vilhelmsen, Lasse, Walter, Michael, Zeng, Zhenhua, Jacobsen, Karsten W
Published in Journal of physics. Condensed matter (12.07.2017)
Published in Journal of physics. Condensed matter (12.07.2017)
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Journal Article
Topoly: Python package to analyze topology of polymers
Dabrowski-Tumanski, Pawel, Rubach, Pawel, Niemyska, Wanda, Gren, Bartosz Ambrozy, Sulkowska, Joanna Ida
Published in Briefings in bioinformatics (20.05.2021)
Published in Briefings in bioinformatics (20.05.2021)
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Journal Article
BubbleDet: a Python package to compute functional determinants for bubble nucleation
Ekstedt, Andreas, Gould, Oliver, Hirvonen, Joonas
Published in The journal of high energy physics (11.12.2023)
Published in The journal of high energy physics (11.12.2023)
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Journal Article
Genome‐scale metabolic modeling reveals SARS‐CoV‐2‐induced metabolic changes and antiviral targets
Cheng, Kuoyuan, Martin‐Sancho, Laura, Pal, Lipika R, Pu, Yuan, Riva, Laura, Yin, Xin, Sinha, Sanju, Nair, Nishanth Ulhas, Chanda, Sumit K, Ruppin, Eytan
Published in Molecular systems biology (01.11.2021)
Published in Molecular systems biology (01.11.2021)
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Journal Article
Comment on Ultrarapid On-Site Detection of SARS-CoV‑2 Infection Using Simple ATR-FTIR Spectroscopy and an Analysis Algorithm: High Sensitivity and Specificity
Wood, Bayden R, Bedolla, Diana E, Kochan, Kamila, Godfrey, Dale I, Purcell, Damian F. J, Heraud, Philip
Published in Analytical chemistry (Washington) (21.12.2021)
Published in Analytical chemistry (Washington) (21.12.2021)
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Journal Article