Ye Mei

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 34

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

Chemical science

East China Normal University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

East China Normal University Aug 01 2012

China

Professor :: State Key Laboratory of Precision Spectroscopy

East China Normal University Mar 01 2009 - Jul 31 2012

China

Associate Professor :: State Key Laboratory of Precision Spectroscopy

Nanjing University Jun 01 2007 - Feb 28 2009

China

Postdoc :: Schoole of Chemistry and Chemical Engineering

Publications

Shuhui Wang, Kun Wang, Kangkang Song, Zon Weng Lai, Pengfei Li, Dongying Li, Yajie Sun, Ye Mei, Chen Xu, Maofu Liao
Structures of the Mycobacterium tuberculosis efflux pump EfpA reveal the mechanisms of transport and inhibition. Nature communications 15 (1) (2024)
Shipeng Wang, Fengjiao Liu, Pengfei Li, Jia-Ning Wang, Yan Mo, Bin Lin, Ye Mei
Potent inhibitors targeting cyclin-dependent kinase 9 discovered via virtual high-throughput screening and absolute binding free energy calculations. Physical chemistry chemical physics : PCCP 26 (6) (2024)
Meiting Wang, Ye Mei, Ulf Ryde
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample variance. Chemical science 15 (23) (2024)
Meiting Wang, Ye Mei, Ulf Ryde
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample variance. Chemical science 15 (23) (2024)
Shipeng Wang, Fengjiao Liu, Pengfei Li, Jia-Ning Wang, Yan Mo, Bin Lin, Ye Mei
Potent inhibitors targeting cyclin-dependent kinase 9 discovered via virtual high-throughput screening and absolute binding free energy calculations. Physical chemistry chemical physics : PCCP (2024)
Shipeng Wang, Fengjiao Liu, Pengfei Li, Jia-Ning Wang, Yan Mo, Bin Lin, Ye Mei
Potent inhibitors targeting cyclin-dependent kinase 9 discovered via virtual high-throughput screening and absolute binding free energy calculations. Physical chemistry chemical physics : PCCP 26 (6) (2024)
Xiaoliang Pan, Ryan Snyder, Jia-Ning Wang, Chance Lander, Carly Wickizer, Richard Van, Andrew Chesney, Yuanfei Xue, Yuezhi Mao, Ye Mei, Jingzhi Pu, Yihan Shao
Training machine learning potentials for reactive systems: A Colab tutorial on basic models. Journal of computational chemistry (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Peipei Jin, Jia-Ning Wang, Xueli Wang, Menghui Jia, Haifeng Pan, Ye Mei, Jinquan Chen
Tracking the Early Stage of Triplet-Induced Photodamage in a DNA Dimer and Oligomer Containing 5-Methylcytosine. The journal of physical chemistry. B (2023)
Jia-Ning Wang, Yuanfei Xue, Pengfei Li, Xiaoliang Pan, Meiting Wang, Yihan Shao, Yan Mo, Ye Mei
Perspective: Reference-Potential Methods for the Study of Thermodynamic Properties in Chemical Processes: Theory, Applications, and Pitfalls. The journal of physical chemistry letters (2023)
Jing Xu, Yuanfei Xue, Xiaoxia Jian, Yue Zhao, Zhenqing Dai, Jingwen Xu, Zhida Gao, Ye Mei, Yan-Yan Song
Understanding of chiral site-dependent enantioselective identification on a plasmon-free semiconductor based SERS substrate. Chemical science 13 (22) (2022)
Fengjiao Liu, Siqi Ma, Zeying Lu, Anjanay Nangia, Meng Duan, Yanmin Yu, Guochao Xu, Ye Mei, Massimo Bietti, Kendall N Houk
Hydrogen Abstraction by Alkoxyl Radicals: Computational Studies of Thermodynamic and Polarity Effects on Reactivities and Selectivities. Journal of the American Chemical Society 144 (15) (2022)
Kuanzhi Qu, Jing Xu, Yuanfei Xue, Junli Guo, Zhida Gao, Yan-Yan Song, Ye Mei
Near Infrared Light-Driven Photothermal Effect on Homochiral Au/TiO 2 Nanotube Arrays for Enantioselective Desorption. Analytical chemistry 94 (2) (2021)
Xiaoliang Pan, Junjie Yang, Richard Van, Evgeny Epifanovsky, Junming Ho, Jing Huang, Jingzhi Pu, Ye Mei, Kwangho Nam, Yihan Shao
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions. Journal of chemical theory and computation 17 (9) (2021)
Yuanfei Xue, Jia-Ning Wang, Wenxin Hu, Jun Zheng, Yongle Li, Xiaoliang Pan, Yan Mo, Yihan Shao, Lu Wang, Ye Mei
Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential. The journal of physical chemistry. A 125 (50) (2021)
Jia-Ning Wang, Wei Liu, Pengfei Li, Yan Mo, Wenxin Hu, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei
Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM. Journal of chemical theory and computation 17 (3) (2021)
Zhe Huai, Zhengqing Tong, Ye Mei, Yan Mo
Theoretical Study of the Spectral Differences of the Fenna-Matthews-Olson Protein from Different Species and Their Mutants. The journal of physical chemistry. B 125 (30) (2021)
Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei
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. Journal of chemical theory and computation 16 (11) (2020)
Zhengqing Tong, Zhe Huai, Ye Mei, Yan Mo
Reproducing the low-temperature excitation energy transfer dynamics of phycoerythrin 545 light-harvesting complex with a structure-based model Hamiltonian. The Journal of chemical physics 152 (13) (2020)
Xiaoliang Pan, Pengfei Li, Junming Ho, Jingzhi Pu, Ye Mei, Yihan Shao
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Pengfei Li, Fengjiao Liu, Yihan Shao, Ye Mei
Computational Insights into Endo/Exo Selectivity of the Diels-Alder Reaction in Explicit Solvent at Ab Initio Quantum Mechanical/Molecular Mechanical Level. The journal of physical chemistry. B 123 (24) (2019)
Yibo Zhang, Wei Liu, Zihang Li, Vinay Kumar, Ana L Alvarez-Cabrera, Emily C Leibovitch, Yanxiang Cui, Ye Mei, Guo-Qiang Bi, Steve Jacobson, Z Hong Zhou
Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes. Nature communications 10 (1) (2019)
Zhengqing Tong, Zhe Huai, Ye Mei, Yan Mo
Influence of the Protein Environment on the Electronic Excitation of Chromophores in the Phycoerythrin 545 Light-Harvesting Complex: A Combined MD-QM/MM Method with Polarized Protein-Specific Charge Scheme. The journal of physical chemistry. B 123 (9) (2019)
Wei Liu, Xinghong Dai, Jonathan Jih, Karen Chan, Phong Trang, Xuekui Yu, Rilwan Balogun, Ye Mei, Fenyong Liu, Z Hong Zhou
Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development. PLoS pathogens 15 (2) (2019)
Meiting Wang, Ye Mei, Ulf Ryde
Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics Simulations. Journal of chemical theory and computation 15 (4) (2019)
Wei Liu, Pengfei Li, Ye Mei
Discovery of SBF1 as an allosteric inhibitor targeting the PIF-pocket of 3-phosphoinositide-dependent protein kinase-1. Journal of molecular modeling 25 (7) (2019)
Yihan Shao, Ye Mei, Dage Sundholm, Ville R I Kaila
Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores. Journal of chemical theory and computation 16 (1) (2019)
Pengfei Li, Fengjiao Liu, Xiangyu Jia, Yihan Shao, Wenxin Hu, Jun Zheng, Ye Mei
Efficient Computation of Free Energy Surfaces of Diels⁻Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level. Molecules (Basel, Switzerland) 23 (10) (2018)
Pengfei Li, Xiangyu Jia, Xiaoliang Pan, Yihan Shao, Ye Mei
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation. Journal of chemical theory and computation 14 (11) (2018)
Meiting Wang, Ye Mei, Ulf Ryde
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations. Journal of chemical theory and computation 14 (12) (2018)
Meiting Wang, Pengfei Li, Xiangyu Jia, Wei Liu, Yihan Shao, Wenxin Hu, Jun Zheng, Bernard R Brooks, Ye Mei
Efficient Strategy for the Calculation of Solvation Free Energies in Water and Chloroform at the Quantum Mechanical/Molecular Mechanical Level. Journal of chemical information and modeling 57 (10) (2017)
Fengjiao Liu, Zhongyue Yang, Yanmin Yu, Ye Mei, Kendall N Houk
Bimodal Evans-Polanyi Relationships in Dioxirane Oxidations of sp3 C-H: Non-perfect Synchronization in Generation of Delocalized Radical Intermediates. Journal of the American Chemical Society 139 (46) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Ye Mei