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R

Rui Lai

jilin university

12H指数
32论文数
628被引数
收录论文 20
发表时间
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Modeling Method Based on Traditional Machine Learning and Graph Neural Network for Interpretable Prediction of Short Peptide logD基于传统机器学习与图神经网络的可解释短肽logD预测建模方法
errThe Journal of Physical Chemistry B
IF2.9
err2026-04-20
err0
PREAI
errJing Li; Yutian Gu; Qianyu Guo; Rui Lai; Weiwei Han
err分享
err收藏
Deacetylation mechanism of histone deacetylase 8: insights from QM/MM MP2 calculations组蛋白去乙酰化酶8的去乙酰化机制：QM/MM MP2计算研究
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errLai, Rui; Li, Hui
err分享
err收藏
Mechanism of Ampicillin Hydrolysis by New Delhi Metallo-β-Lactamase 1: Insight From QM/MM MP2 Calculation新德里金属 β-内酰胺酶1水解氨苄青霉素的机理: QM/MM MP2计算的见解
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-12-05
err0
PREAI
errLai, Rui; Li, Hui
err分享
err收藏
Flexibility of Binding Site is Essential to the Ca2+ Selectivity in EF-Hand Calcium-Binding Proteins
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-03-08
err2
PREAI
errLai, Rui; Li, Guohui; Cui, Qiang
err分享
err收藏
One metal two tasks: Reentering the catalytic ending PdII-H for the relay-catalytic cycle for dicarbonylation of amines
errJOURNAL OF CATALYSIS
IF6.5
err2023-10-01
err3
PREAI
errKuai, Chang-Sheng; Teng, Bing-Hong; Lai, Rui; Zhao, Yingying; Li, Guohui; Wu, Xiao-Feng
err分享
err收藏
A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-12
err3
PREAI
errCui, Hongqiang; Lai, Rui; Yuan, Shengwei; Liao, Chenyi; Wang, Anhui; Li, Guohui
err分享
err收藏
Insights into How NH4+Ions Enhance the Activity of Dimeric G-Quadruplex/Hemin DNAzyme
errACS CATALYSIS
IF13.1
err2023-03-15
err11
PREAI
errZhou, Wenqin; Lai, Rui; Cheng, Yu; Bao, Yu; Miao, Wenhui; Cao, Xupeng; Jia, Guoqing; Li, Guohui; Li, Can
err分享
err收藏
How to Stabilize Carbenes in Enzyme Active Sites without Metal Ions
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-11-03
err8
errOAAI
errLai, Rui; Cui, Qiang
err分享
err收藏
Implications for an Imidazole-2-yl Carbene Intermediate in the Rhodanase-Catalyzed C-S Bond Formation Reaction of Anaerobic Ergothioneine Biosynthesis
errACS CATALYSIS
IF13.1
err2021-03-01
err16
errOAAI
errCheng, Ronghai; Lai, Rui; Peng, Chao; Lopez, Juan; Li, Zhihong; Naowarojna, Nathchar; Li, Kelin; Wong, Christina; Lee, Norman; Whelan, Stephen A.; Qiao, Lu; Grinstaff, Mark W.; Wang, Jiangyun; Cui, Qiang; Liu, Pinghua
err分享
err收藏
What Does the Bronsted Slope Measure in the Phosphoryl Transfer Transition State?
errACS CATALYSIS
IF13.1
err2020-11-16
err2
errOAAI
errLai, Rui; Cui, Qiang
err分享
err收藏
Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
errACS CATALYSIS
IF13.1
err2020-07-16
err19
errOAAI
errCheng, Ronghai; Wu, Lian; Lai, Rui; Peng, Chao; Naowarojna, Nathchar; Hu, Weiyao; Li, Xinhao; Whelan, Stephen A.; Lee, Norman; Lopez, Juan; Zhao, Changming; Yong, Youhua; Xue, Jiahui; Jiang, Xuefeng; Grinstaff, Mark W.; Deng, Zixin; Chen, Jiesheng; Cui, Qiang; Zhou, Jiahai; Liu, Pinghua
err分享
err收藏
Composition and charge state influence on the ion-neutral collision cross sections of protonated N-linked glycopeptides: an experimental and theoretical deconstruction of coulombic repulsion vs. charge solvation effects
errANALYST
IF3.3
err2019-01-01
err18
errOAAI
errGelb, Abby S.; Lai, Rui; Li, Hui; Dodds, Eric D.
err分享
err收藏
Catalytic Mechanism of Amyloid-β Peptide Degradation by Insulin Degrading Enzyme: Insights from Quantum Mechanics and Molecular Mechanics Style Moller-Plesset Second Order Perturbation Theory Calculation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-08-22
err11
errOAAI
errLai, Rui; Tang, Wei-Jen; Li, Hui
err分享
err收藏
Molecular dynamics simulation of ion mobility in gases
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-02-14
err19
errOAAI
errLai, Rui; Dodds, Eric D.; Li, Hui
err分享
err收藏
Improved Photoinduced Fluorogenic Alkene-Tetrazole Reaction for Protein Labeling
errBIOCONJUGATE CHEMISTRY
IF3.9
err2017-10-26
err24
errOAAI
errShang, Xin; Lai, Rui; Song, Xi; Li, Hui; Niu, Wei; Guo, Jiantao
err分享
err收藏
Chemoselective Alteration of Fluorophore Scaffolds as a Strategy for the Development of Ratiometric Chemodosimeters
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2017-03-20
err56
errOAAI
errZhou, Xinqi; Lesiak, Lauren; Lai, Rui; Beck, Jon R.; Zhao, Jia; Elowsky, Christian G.; Li, Hui; Stains, Cliff I.
err分享
err收藏
Fluorogenic protein labeling using a genetically encoded unstrained alkene
errCHEMICAL SCIENCE
IF7.4
err2017-01-01
err51
errOAAI
errShang, X.; Song, X.; Faller, C.; Lai, R.; Li, H.; Cerny, R.; Niu, W.; Guo, J.
err分享
err收藏
Nebraska Red: a phosphinate-based near-infrared fluorophore scaffold for chemical biology applications
errCHEMICAL COMMUNICATIONS
IF4.2
err2016-01-01
err130
errOAAI
errZhou, Xinqi; Lai, Rui; Beck, Jon R.; Li, Hui; Stains, Cliff I.
err分享
err收藏
The 8-Silyloxyquinoline Scaffold as a Versatile Platform for the Sensitive Detection of Aqueous Fluoride
errANALYTICAL CHEMISTRY
IF6.7
err2015-04-02
err42
PREAI
errZhou, Xinqi; Lai, Rui; Li, Hui; Stains, Cliff I.
err分享
err收藏
QuanPol: A Full Spectrum and Seamless QM/MM ProgramQuanPol: 全谱和无缝QM/MM程序
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-09-30
err50
PREAI
errThellamurege, Nandun M.; Si, Dejun; Cui, Fengchao; Zhu, Hongbo; Lai, Rui; Li, Hui
err分享
err收藏

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