Zhengdan Zhu

发表

Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic σ-hole.

Weiliang Zhu, Jiye Shi, Jinan Wang, 2019, Physical chemistry chemical physics : PCCP.

A comparative study of S···π chalcogen bonds between SF2 or SFH and C C multiple bonds

Hongyan Wang, Yunxiang Lu, Y. Ni, 2019, Journal of Molecular Structure.

Cembrane-type diterpenoids from the South China Sea soft coral Sarcophyton mililatensis

Hui Huang, Fei Ye, Zhengdan Zhu, 2018, Acta pharmaceutica Sinica. B.

Exploring the Binding Mechanism and Accessible Angle of SARS-CoV-2 Spike and ACE2 by Molecular Dynamics Simulation and Free Energy Calculation

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2020 .

Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding

Weiliang Zhu, Jiye Shi, Zhijian Xu, 2020, Journal of Molecular Modeling.

Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation

Zhijian Xu, Honglai Liu, Yunxiang Lu, 2020 .

Site-specific protein modification by 3-n-butylphthalide in primary hepatocytes: Covalent protein adducts diminished by glutathione and N-acetylcysteine.

D. Zhong, Yaru Xue, X. Diao, 2021, Life sciences.

Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2020, The journal of physical chemistry letters.

Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

Qinrui Wang, Zhengdan Zhu, Lvjun Guo, 2022, Frontiers in Pharmacology.

Chemo- and Site-Selective Lysine Modification of Peptides and Proteins under Native Conditions Using the Water-Soluble Zolinium.

Weiliang Zhu, Kaixian Chen, Bo Li, 2022, Journal of medicinal chemistry.

Alopecines A-E, five chloro-containing matrine-type alkaloids with immunosuppressive activities from the seeds of Sophora alopecuroides.

Weiliang Zhu, Tingting Hao, Zhengdan Zhu, 2020, Bioorganic chemistry.

Efficient syntheses of alpha- and beta-C-nucleosides and the origin of anomeric selectivity

Tongchao Liu, B. Xiong, Jing-kang Shen, 2018 .

Interaction Nature and Computational Methods for Halogen Bonding: A Perspective

Weiliang Zhu, Zhijian Xu, Zhengdan Zhu, 2020, J. Chem. Inf. Model..

Sarinfacetamides A and B, Nitrogenous Diterpenoids with Tricyclo[6.3.1.01,5]dodecane Scaffold from the South China Sea Soft Coral Sarcophyton infundibuliforme.

Yuehua Wu, Yucheng Gu, Jing Li, 2018, Organic letters.

Xishacorenes A-C, Diterpenes with Bicyclo[3.3.1]nonane Nucleus from the Xisha Soft Coral Sinularia polydactyla.

Yucheng Gu, Jing Li, Yue‐Wei Guo, 2017, Organic letters.

Ligand-based approach for predicting drug targets and for virtual screening against COVID-19

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2021, Briefings Bioinform..

D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19

Zhijian Xu, Cheng Peng, Yulong Shi, 2020, Acta Pharmaceutica Sinica B.

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2020 .

Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses

Weiliang Zhu, Zhijian Xu, Qingwei Liu, 2019, Cell Discovery.

Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations

Weiliang Zhu, Zhijian Xu, H. Aisa, 2020, J. Chem. Inf. Model..

Further New Diterpenoids as PTP1B Inhibitors from the Xisha Soft Coral Sinularia polydactyla

Yucheng Gu, Jia Li, Yue‐Wei Guo, 2018, Marine drugs.

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2020 .

Nelfinavir was predicted to be a potential inhibitor of 2019-nCov main protease by an integrative approach combining homology modelling, molecular docking and binding free energy calculation

Weiliang Zhu, Zhijian Xu, Kaijie Mu, 2020, bioRxiv.

Halogen Bonds Exist between Noncovalent Ligands and Natural Nucleic Acids.

Weiliang Zhu, Zhijian Xu, Cheng Peng, 2022, Journal of medicinal chemistry.

Pnictogen, chalcogen, and halogen bonds in catalytic systems: theoretical study and detailed comparison

Honglai Liu, Yunxiang Lu, Zhengdan Zhu, 2019, Journal of Molecular Modeling.

2Ch-2N square and hexagon interactions: a combined crystallographic data analysis and computational study.

Zhijian Xu, Honglai Liu, Yunxiang Lu, 2019, Physical chemistry chemical physics : PCCP.

The differences and cooperativity between Ge (Sn)…O tetrel bonds and X (X = F, Cl, Br, and I) …O halogen bonds

Xiaoting Wang, Yunxiang Lu, Y. Ni, 2020 .

Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses

Weiliang Zhu, Zhijian Xu, Qingwei Liu, 2019, Cell Discovery.

A retro-inverso modified peptide alleviated ovalbumin-induced asthma model by affecting glycerophospholipid and purine metabolism of immune cells.

L. Li, Zhihong Li, Yue Feng, 2022, Pulmonary pharmacology & therapeutics.

Theoretical Exploration of Halogen Bonding Interactions in the Complexes of Novel Nitroxide Radical Probes and Comparison with Hydrogen Bonds.

Honglai Liu, Chengxi Zhao, Yunxiang Lu, 2018, The journal of physical chemistry. A.

Description of noncovalent interactions involving π‐system with high precision: An assessment of RPA, MP2, and DFT‐D methods

Hongyan Wang, He Su, Hui Wang, 2019, J. Comput. Chem..

Uni-Dock: GPU-Accelerated Docking Enables Ultralarge Virtual Screening.

Zhengdan Zhu, Chun Cai, Zonghua Bo, 2023, Journal of chemical theory and computation.

Flueggenoids A - E, new dinorditerpenoids from Flueggea virosa.

Weiliang Zhu, Jian-Ping Zuo, Xiao-Feng Wang, 2019, Fitoterapia.