中国科学院计算技术研究所机构知识库

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	Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 卷号: 20, 期号: 2, 页码: 775-786 作者:  Xiang, Chunyang;  Jia, Weile;  Fang, Wei-Hai;  Li, Zhendong 收藏  |  浏览/下载：0/0  |  提交时间：2024/05/20
	PepPre: Promote Peptide Identification Using Accurate and Comprehensive Precursors 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2023, 卷号: 23, 期号: 2, 页码: 574-584 作者:  Tarn, Ching;  Wu, Yu-Zhuo;  Wang, Kai-Fei 收藏  |  浏览/下载：0/0  |  提交时间：2024/05/20 mass spectrometry  peptide identification  precursor ion detection  deisotope  linear programming
	Comparative Analysis of Chemical Cross-Linking Mass Spectrometry Data Indicates That Protein STY Residues Rarely React with N-Hydroxysuccinimide Ester Cross-Linkers 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2023, 卷号: 22, 期号: 8, 页码: 2593-2607 作者:  Cao, Yong;  Liu, Xin-Tong;  Mao, Peng-Zhi;  Chen, Zhen-Lin;  Tarn, Ching;  Dong, Meng-Qiu 收藏  |  浏览/下载：5/0  |  提交时间：2023/12/04 CXMS  XL-MS  NHS ester cross-linker  pLink  xiSearch  MeroX
	High-Speed Optical Mode Switch in Lithium Niobate on Insulator 期刊论文 ACS PHOTONICS, 2023, 页码: 7 作者:  Jiang, Yongheng;  Han, Xu;  Li, Yiyang;  Xiao, Huifu;  Huang, Haijin;  Zhang, Pu;  Dubey, Aditya;  Yuan, Mingrui;  Nguyen, Thach Giang;  Boes, Andreas;  Li, Yingtao;  Ren, Guanghui;  Xue, Jiuzhi;  Hao, Qinfen;  Su, Yikai;  Mitchell, Arnan;  Tian, Yonghui 收藏  |  浏览/下载：12/0  |  提交时间：2023/07/12 Optical mode switch  Lithium niobate on insulator (LNOI)  Silicon nitride  Mode-division-multiplexing (MDM)
	GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy 期刊论文 ANALYTICAL CHEMISTRY, 2022, 页码: 9 作者:  Huang, Chuncui;  Hou, Meijie;  Yan, Jingyu;  Wang, Hui;  Wang, Yu;  Cao, Cuiyan;  Wang, Yaojun;  Gao, Huanyu;  Ma, Xinyue;  Zheng, Yi;  Bu, Dongbo;  Chai, Wengang;  Li, Yan;  Sun, Shiwei 收藏  |  浏览/下载：11/0  |  提交时间：2023/07/12
	Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 页码: 15 作者:  Tahir, Muhammad N.;  Zhu, Tong;  Shang, Honghui;  Li, Jia;  Blum, Volker;  Ren, Xinguo 收藏  |  浏览/下载：18/0  |  提交时间：2022/12/07
	pDeepXL: MS/MS Spectrum Prediction for Cross-Linked Peptide Pairs by Deep Learning 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2021, 卷号: 20, 期号: 5, 页码: 2570-2582 作者:  Chen, Zhen-Lin;  Mao, Peng-Zhi;  Zeng, Wen-Feng;  Chi, Hao;  He, Si-Min 收藏  |  浏览/下载：36/0  |  提交时间：2021/12/01 cross-linking mass spectrometry  spectrum prediction  deep learning  transfer learning  online fine-tuning
	Exploring the Microbiome-Wide Lysine Acetylation, Succinylation, and Propionylation in Human Gut Microbiota 期刊论文 ANALYTICAL CHEMISTRY, 2021, 卷号: 93, 期号: 17, 页码: 6594-6598 作者:  Zhang, Xu;  Cheng, Kai;  Ning, Zhibin;  Mayne, Janice;  Walker, Krystal;  Chi, Hao;  Farnsworth, Charles L.;  Lee, Kimberly;  Figeys, Daniel 收藏  |  浏览/下载：36/0  |  提交时间：2021/12/01
	pDeep3: Toward More Accurate Spectrum Prediction with Fast Few-Shot Learning 期刊论文 ANALYTICAL CHEMISTRY, 2021, 卷号: 93, 期号: 14, 页码: 5815-5822 作者:  Tarn, Ching;  Zeng, Wen-Feng 收藏  |  浏览/下载：29/0  |  提交时间：2021/12/01
	Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689 作者:  Shang, Honghui;  Yang, Jinlong 收藏  |  浏览/下载：18/0  |  提交时间：2021/12/01