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Current and future deep learning algorithms for tandem mass spectrometry (MS/MS)‐based small molecule structure elucidation
Liu, Youzhong, De Vijlder, Thomas, Bittremieux, Wout, Laukens, Kris, Heyndrickx, Wouter
Published in Rapid communications in mass spectrometry (01.05.2025)
Published in Rapid communications in mass spectrometry (01.05.2025)
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Journal Article
EyeLoop: An Open-Source System for High-Speed, Closed-Loop Eye-Tracking
Arvin, Simon, Rasmussen, Rune Nguyen, Yonehara, Keisuke
Published in Frontiers in cellular neuroscience (09.12.2021)
Published in Frontiers in cellular neuroscience (09.12.2021)
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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
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
A hierarchical MS 2 /MS 3 database search algorithm for automated analysis of phosphopeptide tandem mass spectra
Xu, Hua, Wang, Liwen, Sallans, Larry, Freitas, Michael A.
Published in Proteomics (Weinheim) (01.04.2009)
Published in Proteomics (Weinheim) (01.04.2009)
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Journal Article
MAGIC: An Automated N-Linked Glycoprotein Identification Tool Using a Y1-Ion Pattern Matching Algorithm and in Silico MS 2 Approach
Lynn, Ke-Shiuan, Chen, Chen-Chun, Lih, T. Mamie, Cheng, Cheng-Wei, Su, Wan-Chih, Chang, Chun-Hao, Cheng, Chia-Ying, Hsu, Wen-Lian, Chen, Yu-Ju, Sung, Ting-Yi
Published in Analytical chemistry (Washington) (17.02.2015)
Published in Analytical chemistry (Washington) (17.02.2015)
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Journal Article