Meilan Huang

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 26

Top Topics

Molecular Dynamics Simulations

Gold Nanoparticles

Highly Efficient

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

Chemical Society reviews

ACS applied materials & interfaces

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

Publications

Jiahui Zhou, Meilan Huang
Navigating the landscape of enzyme design: from molecular simulations to machine learning. Chemical Society reviews (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Jiahui Zhou, Meilan Huang
Navigating the landscape of enzyme design: from molecular simulations to machine learning. Chemical Society reviews 53 (16) (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Xiangwen Wang, Derek Quinn, Thomas S Moody, Meilan Huang
ALDELE: All-Purpose Deep Learning Toolkits for Predicting the Biocatalytic Activities of Enzymes. Journal of chemical information and modeling 64 (8) (2024)
Jiahui Zhou, Meilan Huang
Navigating the landscape of enzyme design: from molecular simulations to machine learning. Chemical Society reviews 53 (16) (2024)
Fei Deng, Yujie Shen, Yan Li, Xue Han, Meilan Huang, Xia Tao
Highly Efficient (>13%) and Robust Flexible Perovskite Solar Cells Using an Ultrasimple All-Carbon-Electrode Configuration. ACS applied materials & interfaces (2023)
Jiahui Zhou, Tao Han, Shahbaz Ahmad, Derek Quinn, Thomas S Moody, Qi Wu, Meilan Huang
Origin of the enantioselectivity of alcohol dehydrogenase. Physical chemistry chemical physics : PCCP (2023)
Hong-Yu Lin, Chao-Yi Yao, Jialu Li, H Q Nimal Gunaratne, Warispreet Singh, Meilan Huang, Eric V Anslyn, A Prasanna de Silva
Remarkably Selective Binding, Behavior Modification, and Switchable Release of (Bipyridine) 3 Ru(II) vis-à-vis (Phenanthroline) 3 Ru(II) by Trimeric Cyclophanes in Water. JACS Au 3 (8) (2023)
Chaoyi Yao, Hong-Yu Lin, Brian Daly, Yikai Xu, Warispreet Singh, H Q Nimal Gunaratne, Wesley R Browne, Steven E J Bell, Peter Nockemann, Meilan Huang, Paul Kavanagh, A Prasanna de Silva
Taming Tris(bipyridine)ruthenium(II) and Its Reactions in Water by Capture/Release with Shape-Switchable Symmetry-Matched Cyclophanes. Journal of the American Chemical Society 144 (11) (2022)
Warispreet Singh, Sónia F G Santos, Paul James, Gary W Black, Meilan Huang, Kshatresh Dutta Dubey
Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450 GcoA . ACS omega 7 (24) (2022)
Yan Li, Siqi Li, Yujie Shen, Xue Han, Yao Li, Yingchun Yu, Meilan Huang, Xia Tao
Multifunctional Histidine Cross-Linked Interface toward Efficient Planar Perovskite Solar Cells. ACS applied materials & interfaces 14 (42) (2022)
Warispreet Singh, Chenggong Hui, Chun Li, Meilan Huang
Thebaine is Selectively Demethylated by Thebaine 6-O-Demethylase and Codeine-3-O-demethylase at Distinct Binding Sites: A Computational Study. Inorganic chemistry 60 (14) (2021)
Chenggong Hui, Warispreet Singh, Derek Quinn, Chun Li, Thomas S Moody, Meilan Huang
Regio- and stereoselectivity in the CYP450BM3-catalyzed hydroxylation of complex terpenoids: a QM/MM study. Physical chemistry chemical physics : PCCP 22 (38) (2020)
Yunxuan Ding, Yujie Shen, Chao Peng, Meilan Huang, Peijun Hu
Unraveling the Photogenerated Electron Localization on the Defect-Free CH3NH3PbI3(001) Surfaces: Understanding and Implications from a First-Principles Study. The journal of physical chemistry letters 11 (19) (2020)
Nan Li, Yunxuan Ding, Jiaojiao Wu, Zhijie Zhao, Xitao Li, Yan-Zhen Zheng, Meilan Huang, Xia Tao
Efficient, Full Spectrum-Driven H2 Evolution Z-Scheme Co2P/CdS Photocatalysts with Co-S Bonds. ACS applied materials & interfaces 11 (25) (2019)
James McClory, Gui-Xiang Hu, Jian-Wei Zou, David J Timson, Meilan Huang
Phosphorylation Mechanism of N-Acetyl-l-glutamate Kinase, a QM/MM Study. The journal of physical chemistry. B 123 (13) (2019)
Warispreet Singh, Munir Bilal, James McClory, Daniel Dourado, Derek Quinn, Thomas S Moody, Iain Sutcliffe, Meilan Huang
Mechanism of Phosphatidylglycerol Activation Catalyzed by Prolipoprotein Diacylglyceryl Transferase. The journal of physical chemistry. B 123 (33) (2019)
Jian Xu, Yixin Cen, Warispreet Singh, Jiajie Fan, Lian Wu, Xianfu Lin, Jiahai Zhou, Meilan Huang, Manfred T Reetz, Qi Wu
Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. Journal of the American Chemical Society 141 (19) (2019)
Warispreet Singh, Derek Quinn, Thomas S Moody, Meilan Huang
Reaction Mechanism of Histone Demethylation in αKG-dependent Non-Heme Iron Enzymes. The journal of physical chemistry. B 123 (37) (2019)
Xiaoli An, Shaoyong Lu, Kun Song, Qiancheng Shen, Meilan Huang, Xiao-Jun Yao, Huan-Xiang Liu, Jian Zhang
Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs? Journal of chemical information and modeling 59 (1) (2018)
James McClory, David J Timson, Warispreet Singh, Jian Zhang, Meilan Huang
Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study. The journal of physical chemistry. B 121 (49) (2017)