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Ruibo Wu
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2020 – today
- 2023
- [j16]Nianhang Chen, Rong Zhang, Tao Zeng
, Xuting Zhang, Ruibo Wu
Developing TeroENZ and TeroMAP modules for the terpenome research platform TeroKit. Database J. Biol. Databases Curation 2023 (2023) - [j15]Fan Zhang, Tao Zeng, Ruibo Wu
QM/MM Modeling Aided Enzyme Engineering in Natural Products Biosynthesis. J. Chem. Inf. Model. 63(16): 5018-5034 (2023) - 2022
- [j14]Tao Zeng
Bio-inspired chemical space exploration of terpenoids. Briefings Bioinform. 23(5) (2022) - 2021
- [i1]Shuangjia Zheng, Tao Zeng, Chengtao Li, Binghong Chen, Connor W. Coley, Yuedong Yang, Ruibo Wu:
BioNavi-NP: Biosynthesis Navigator for Natural Products. CoRR abs/2105.13121 (2021) - 2020
- [j13]Kai Wang
GM-DockZn: a geometry matching-based docking algorithm for zinc proteins. Bioinform. 36(13): 4004-4011 (2020) - [j12]Tao Zeng
TeroKit: A Database-Driven Web Server for Terpenome Research. J. Chem. Inf. Model. 60(4): 2082-2090 (2020) - [j11]Jingyuan Zhuang, Fan Zhang, Jingwei Zhou
Residue-Orientation-Dependent Dynamics and Selectivity of Active Pocket in Microbe Class I Terpene Cyclases. J. Chem. Inf. Model. 60(10): 4985-4994 (2020)
2010 – 2019
- 2019
- [j10]Tao Zeng
Exploring Chemical and Biological Space of Terpenoids. J. Chem. Inf. Model. 59(9): 3667-3678 (2019) - 2017
- [j9]Jingwei Zhou, Yue Huang, Chunyan Cheng, Kai Wang
Intrinsic Dynamics of the Binding Rail and Its Allosteric Effect in the Class I Histone Deacetylases. J. Chem. Inf. Model. 57(9): 2309-2320 (2017) - 2016
- [j8]Fan Zhang, Nanhao Chen, Ruibo Wu:
Molecular Dynamics Simulations Elucidate Conformational Dynamics Responsible for the Cyclization Reaction in TEAS. J. Chem. Inf. Model. 56(5): 877-885 (2016) - 2015
- [j7]Wenjing Gong, Ruibo Wu, Yingkai Zhang:
Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An Ab initio QM/MM molecular dynamics study. J. Comput. Chem. 36(30): 2228-2235 (2015) - [j6]Ming Kuang, Jingwei Zhou, Laiyou Wang, Zhihong Liu
Binding Kinetics versus Affinities in BRD4 Inhibition. J. Chem. Inf. Model. 55(9): 1926-1935 (2015) - 2014
- [j5]Jingwei Zhou, Hujun Xie
Structure-Function Analysis of the Conserved Tyrosine and Diverse π-Stacking among Class I Histone Deacetylases: A QM (DFT)/MM MD Study. J. Chem. Inf. Model. 54(11): 3162-3171 (2014) - 2013
- [j4]Hu Ge, Yu Wang, Chanjuan Li, Nanhao Chen, Yufang Xie, Mengyan Xu, Yingyan He, Xinchun Gu, Ruibo Wu, Qiong Gu
Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing. J. Chem. Inf. Model. 53(10): 2757-2764 (2013)
2000 – 2009
- 2009
- [j3]Xin Zhang
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. J. Comput. Chem. 30(15): 2388-2401 (2009) - 2008
- [j2]Ruibo Wu, Zexing Cao:
QM/MM study of catalytic methyl transfer by the N5-glutamine SAM-dependent methyltransferase and its inhibition by the nitrogen analogue of coenzyme. J. Comput. Chem. 29(3): 350-357 (2008) - [j1]Hujun Xie
Effects of electron attachment on C5'-O5' and C1'-N1 bond cleavages of pyrimidine nucleotides: A theoretical study. J. Comput. Chem. 29(12): 2025-2032 (2008)
Coauthor Index
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