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Xiaoliang Pan

university of oklahoma system

19H指数
89论文数
1.4K被引数
收录论文 23
发表时间
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On the entanglement of chromophore and solvent orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-10
err0
PREAI
errJi, Xinwei; Pei, Zheng; Huynh, Kim Ngan; Yang, Junjie; Pan, Xiaoliang; Wang, Binju; Mao, Yuezhi; Shao, Yihan
err分享
err收藏
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-15
err0
PREAI
errThodika, Abdul Raafik Arattu; Pan, Xiaoliang; Shao, Yihan; Nam, Kwangho
err分享
err收藏
Training machine learning potentials for reactive systems: A Colab tutorial on basic models训练反应系统的机器学习潜力: 关于基本模型的Colab教程
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-11
err4
PREAI
errPan, Xiaoliang; Snyder, Ryan; Wang, Jia-Ning; Lander, Chance; Wickizer, Carly; Van, Richard; Chesney, Andrew; Xue, Yuanfei; Mao, Yuezhi; Mei, Ye; Pu, Jingzhi; Shao, Yihan
err分享
err收藏
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-09
err5
PREAI
errPan, Xiaoliang; Van, Richard; Pu, Jingzhi; Nam, Kwangho; Mao, Yuezhi; Shao, Yihan
err分享
err收藏
Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-02
err14
PREAI
errSnyder, Ryan; Kim, Bryant; Pan, Xiaoliang; Shao, Yihan; Pu, Jingzhi
err分享
err收藏
Computational investigation of substituent effects on the fluorescence wavelengths of oxyluciferin analogs
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2022-10-01
err3
errOAAI
errSatalkar, Vardhan; Benassi, Enrico; Mao, Yuezhi; Pan, Xiaoliang; Ran, Chongzhao; Chen, Xiaoyuan; Shao, Yihan
err分享
err收藏
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-01
err79
errOAAI
errPan, Xiaoliang; Yang, Junjie; Van, Richard; Epifanovsky, Evgeny; Ho, Junming; Huang, Jing; Pu, Jingzhi; Mei, Ye; Nam, Kwangho; Shao, Yihan
err分享
err收藏
Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-16
err18
errOAAI
errWang, Jia-Ning; Liu, Wei; Li, Pengfei; Mo, Yan; Hu, Wenxin; Zheng, Jun; Pan, Xiaoliang; Shao, Yihan; Mei, Ye
err分享
err收藏
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-13
err24
errOAAI
errPan, Xiaoliang; Nam, Kwangho; Epifanovsky, Evgeny; Simmonett, Andrew C.; Rosta, Edina; Shao, Yihan
err分享
err收藏
Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 3. Gaussian Smoothing on Density-of-States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-09-25
err15
errOAAI
errHu, Wenxin; Li, Pengfei; Wang, Jia-Ning; Xue, Yuanfei; Mo, Yan; Zheng, Jun; Pan, Xiaoliang; Shao, Yihan; Mei, Ye
err分享
err收藏
Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2019-08-26
err12
errOAAI
errKhatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.
err分享
err收藏
Integrating a generalized data analysis workflow with the Single-probe mass spectrometry experiment for single cell metabolomics将通用数据分析工作流程与单细胞代谢组学的单探针质谱实验相结合
errANALYTICA CHIMICA ACTA
IF6
err2019-08-01
err26
errOAAI
errLiu, Renmeng; Zhang, Genwei; Sun, Mei; Pan, Xiaoliang; Yang, Zhibo
err分享
err收藏
Computational Analysis of Spectroscopical Properties and Binding Affinities of Oxyluciferin Analogs in Firefly Luciferase Protein
errBIOPHYSICAL JOURNAL
IF3.1
err2019-02-01
err0
PREAI
errSatalkar, Vardhan; Pan, Xiaoliang; Bennasi, Enrico; Shao, Yihan
err分享
err收藏
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-10-18
err56
errOAAI
errLi, Pengfei; Jia, Xiangyu; Pan, Xiaoliang; Shao, Yihan; Mei, Ye
err分享
err收藏
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations非周期性从头算QM/MM计算中远程静电相互作用的QM子系统的表示
errMOLECULES
IF4.6
err2018-09-29
err11
errOAAI
errPan, Xiaoliang; Rosta, Edina; Shao, Yihan
err分享
err收藏
Free Energy Landscape of the Michaelis Complex of Lactate Dehydrogenase: A Network Analysis of Atomistic Simulations
errBIOPHYSICAL JOURNAL
IF3.1
err2015-01-01
err0
errOAAI
errPan, Xiaoliang; Schwartz, Steven D.
err分享
err收藏
Stereoelectronic Control of Cleavage of Dioxolane Five-membered Ring on Carbohydrates
errCHEMICAL RESEARCH IN CHINESE UNIVERSITIES
IF3
err2013-04-30
err8
PREAI
errPan Xiao-liang; Zhou Yi-xuan; Liu Wei; Liu Jing-yao; Dong Hai
err分享
err收藏
High capacity and enhanced structural reversibility of β-LixV2O5 nanorods as the lithium battery cathode
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2013-01-01
err32
PREAI
errLi, Wang-Da; Xu, Cheng-Yan; Pan, Xiao-Liang; Huang, Yu-Dong; Zhen, Liang
err分享
err收藏
Stereoelectronic Control in Regioselective Carbohydrate Protection区域选择性碳水化合物保护中的立体电子控制
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2012-01-24
err64
PREAI
errDong, Hai; Zhou, Yixuan; Pan, Xiaoliang; Cui, Fengchao; Liu, Wei; Liu, Jingyao; Ramstrom, Olof
err分享
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Dexamethasone induces fetal developmental toxicity through affecting the placental glucocorticoid barrier and depressing fetal adrenal function
errENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY
IF4.2
err2011-11-01
err61
PREAI
errXu, Dan; Chen, Man; Pan, Xiao-liang; Xia, Li-ping; Wang, Hui
err分享
err收藏

研究方向

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合作学者
合作期刊
陈
陈小源 (Xiaoyuan Chen)
H 指数: 115 · 论文数: 731
陈接胜 封面图
陈接胜 (Jie‐Sheng Chen)
H 指数: 89 · 论文数: 552
陈
陈满生 (Man Chen)
H 指数: 77 · 论文数: 1.3K
邹
邹晓新 (Xiaoxin Zou)
H 指数: 73 · 论文数: 267
L
Liang Zhen
H 指数: 70 · 论文数: 552
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