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Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer Architecture 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 页码: 10
作者:  Lai, Juntao;  Kan, Bowen;  Wu, Yangjun;  Fu, Qiang;  Shang, Honghui;  Li, Zhenyu;  Yang, Jinlong
收藏  |  浏览/下载：1/0  |  提交时间：2024/12/06
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：10/0  |  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：12/0  |  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：15/0  |  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：22/0  |  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：23/0  |  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：27/0  |  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：48/0  |  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：47/0  |  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：39/0  |  提交时间：2021/12/01