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Xiaoliang Pan

university of oklahoma system

19H-index
89Paper Count
1.4KCitation Count
Published Papers 23
Publication Date
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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
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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
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Training machine learning potentials for reactive systems: A Colab tutorial on basic models
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
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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
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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
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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
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errSave
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
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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
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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
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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
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errSave
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.
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Integrating a generalized data analysis workflow with the Single-probe mass spectrometry experiment for single cell metabolomics
errANALYTICA CHIMICA ACTA
IF6
err2019-08-01
err26
errOAAI
errLiu, Renmeng; Zhang, Genwei; Sun, Mei; Pan, Xiaoliang; Yang, Zhibo
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errSave
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
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errSave
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
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errSave
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations
errMOLECULES
IF4.6
err2018-09-29
err11
errOAAI
errPan, Xiaoliang; Rosta, Edina; Shao, Yihan
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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.
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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
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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
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errSave
Stereoelectronic Control in Regioselective Carbohydrate Protection
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
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errSave
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
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Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
陈
陈小源 (Xiaoyuan Chen)
H-index: 115 · Papers: 731
陈接胜 cover
陈接胜 (Jie‐Sheng Chen)
H-index: 89 · Papers: 552
陈
陈满生 (Man Chen)
H-index: 77 · Papers: 1.3K
邹
邹晓新 (Xiaoxin Zou)
H-index: 73 · Papers: 267
L
Liang Zhen
H-index: 70 · Papers: 552
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