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R

Ray Luo

university of california irvine

50H指数
241论文数
2.4W被引数
收录论文 103
发表时间
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AmberTorchPB: A Unified Framework for Poisson–Boltzmann-Based Reaction Field Energy Calculation via Tensor ComputationAmberTorchPB：一种基于张量计算的泊松-玻尔兹曼反应场能量计算的统一框架
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-30
err0
errOAAI
errYongxian Wu; Qiankang Wang; Robin Jiang; Ray Luo
err分享
err收藏
DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and ValidationDEGAUSS：一种用于分子动力学模拟的新型软核力场，采用双指数范德华力和高斯电荷：I：理论与验证
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errHuang, Zhen; Duan, Yong; Wu, Xiongwu; Luo, Ray
err分享
err收藏
End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural Networks基于数据驱动的几何图神经网络对反应场能的端到端建模
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-06
err0
PREAI
errYongxian Wu; Qiang Zhu; Ray Luo
err分享
err收藏
Grid-Context Convolutional Model for Efficient Molecular Surface Construction from Point Clouds基于点云的高效分子表面构建的网格上下文卷积模型
errJournal of Chemical Theory and Computation
IF5.5
err2025-06-03
err0
PREAI
errYongxian Wu; Ray Luo
err分享
err收藏
Extending MMPBSA for membrane proteins: Addressing P2Y12R conformational changes upon ligand binding
errBiophysical Journal
IF3.1
err2025-05-24
err0
PREAI
errCizhang Zhao; Tianhong Wang; Ray Luo
err分享
err收藏
Development of a Pantetheine Force Field Library for Molecular Modeling (vol 61, pg 856, 2021)
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-27
err0
PREAI
errZhao, Shiji; Schaub, Andrew J.; Tsai, Shiou-Chuan; Luo, Ray
err分享
err收藏
Refinement of Atomic Polarizabilities for a Polarizable Gaussian Multipole Force Field with Simultaneous Considerations of Both Molecular Polarizability Tensors and In-Solution Electrostatic Potentials
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-27
err0
errOAAI
errDuan, Yong; Wang, Junmei; Cieplak, Piotr; Luo, Ray
err分享
err收藏
Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-08
err0
PREAI
errHuang, Zhen; Wu, Yongxian; Duan, Yong; Luo, Ray
err分享
err收藏
Functional annotation of the Hippo pathway somatic mutations in human cancers人类癌症中Hippo途径体细胞突变的功能注释
errNATURE COMMUNICATIONS
IF15.7
err2024-11-21
err0
errOAAI
errHan, Han; Huang, Zhen; Xu, Congsheng; Seo, Gayoung; An, Jeongmin; Yang, Bing; Liu, Yuhan; Lan, Tian; Yan, Jiachen; Ren, Shanshan; Xu, Yue; Xiao, Di; Yan, Jonathan K.; Ahn, Claire; Fishman, Dmitry A.; Meng, Zhipeng; Guan, Kun-Liang; Qi, Ruxi; Luo, Ray; Wang, Wenqi
err分享
err收藏
Shifting redox reaction equilibria on demand using an orthogonal redox cofactor
errNATURE CHEMICAL BIOLOGY
IF13.7
err2024-08-13
err1
PREAI
errAspacio, Derek; Zhang, Yulai; Cui, Youtian; Luu, Emma; King, Edward; Black, William B.; Perea, Sean; Zhu, Qiang; Wu, Yongxian; Luo, Ray; Siegel, Justin B.; Li, Han
err分享
err收藏
Map conformational landscapes of intrinsically disordered proteins with polymer physics quantities
errBIOPHYSICAL JOURNAL
IF3.1
err2024-05-01
err0
PREAI
errShadman, Hossain; Ziebarth, Jesse D.; Gallops, Caleb E.; Luo, Ray; Li, Zhengxin; Chen, Hai-Feng; Wang, Yongmei
err分享
err收藏
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-19
err3
errOAAI
errDuan, Yong; Niu, Taoyu; Wang, Junmei; Cieplak, Piotr; Luo, Ray
err分享
err收藏
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-23
err2
PREAI
errZhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Target deconvolution with matrix-augmented pooling strategy reveals cell-specific drug-protein interactions
errCELL CHEMICAL BIOLOGY
IF7.2
err2023-11-01
err7
errOAAI
errJi, Hongchao; Lu, Xue; Zhao, Shiji; Wang, Qiqi; Liao, Bin; Bauer, Ludwig G.; Huber, Kilian V. M.; Luo, Ray; Tian, Ruijun; Tan, Chris Soon Heng
err分享
err收藏
The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
err分享
err收藏
Streamlining and Optimizing Strategies of Electrostatic Parameterization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-07
err5
errOAAI
errZhu, Qiang; Wu, Yongxian; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-13
err6
errOAAI
errHuang, Zhen; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray; Wei, Haixin
err分享
err收藏
Computational approaches for the design of modulators targeting protein-protein interactions
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2023-02-23
err29
errOAAI
errRehman, Ashfaq Ur; Khurshid, Beenish; Ali, Yasir; Rasheed, Salman; Wadood, Abdul; Ng, Ho-Leung; Chen, Hai-Feng; Wei, Zhiqiang; Luo, Ray; Zhang, Jian
err分享
err收藏
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-25
err8
errOAAI
errZhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Orthogonal glycolytic pathway enables directed evolution of noncanonical cofactor oxidase
errNATURE COMMUNICATIONS
IF15.7
err2022-11-26
err11
errOAAI
errKing, Edward; Maxel, Sarah; Zhang, Yulai; Kenney, Karissa C.; Cui, Youtian; Luu, Emma; Siegel, Justin B.; Weiss, Gregory A.; Luo, Ray; Li, Han
err分享
err收藏

研究方向

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管坤良 (Kun‐Liang Guan)
H 指数: 168 · 论文数: 623
P
Pierre Baldi
H 指数: 118 · 论文数: 721
P
Peter A. Kollman
H 指数: 116 · 论文数: 705
D
David A. Case
H 指数: 107 · 论文数: 518
Junjie Chen 封面图
Junjie Chen (Junjie Chen)
H 指数: 107 · 论文数: 704
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