Zhengdan Zhu

Zhengdan Zhu

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Zhengdan Zhu

Zhengdan Zhu

Publications by authors named "Zhengdan Zhu"

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

Phys Chem Chem Phys 2019 Oct 20;21(38):21568-21576. Epub 2019 Sep 20.

Key Laboratory for Advanced Materials and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China.

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http://dx.doi.org/10.1039/c9cp04562gDOI Listing
October 2019

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

Phys Chem Chem Phys 2019 Jul;21(27):15106-15119

CAS Key Laboratory of Receptor Research, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China. and University of Chinese Academy of Sciences, Beijing 100049, China and Open Studio for Druggability Research of Marine Natural Products, Pilot National Laboratory for Marine Science and Technology (Qingdao), 1 Wenhai Road, Aoshanwei, Jimo, Qingdao, 266237, China.

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http://dx.doi.org/10.1039/c9cp01379bDOI Listing
July 2019

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

J Comput Chem 2019 Jun 2;40(17):1643-1651. Epub 2019 Apr 2.

CAS Key Laboratory of Receptor Research, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Shanghai 201203, People's Republic of China.

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http://dx.doi.org/10.1002/jcc.25817DOI Listing
June 2019

Flueggenoids A - E, new dinorditerpenoids from Flueggea virosa.

Fitoterapia 2019 Mar 31;133:96-101. Epub 2018 Dec 31.

Department of Natural Medicinal Chemistry, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S0367326X183214
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http://dx.doi.org/10.1016/j.fitote.2018.12.025DOI Listing
March 2019

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

Cell Discov 2019 15;5. Epub 2019 Jan 15.

2CAS Key Laboratory of Molecular Virology & Immunology, Institut Pasteur of Shanghai, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Shanghai, China.

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http://www.nature.com/articles/s41421-018-0073-7
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http://dx.doi.org/10.1038/s41421-018-0073-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6331555PMC
January 2019

Cembrane-type diterpenoids from the South China Sea soft coral .

Acta Pharm Sin B 2018 Oct 19;8(6):944-955. Epub 2018 Jun 19.

State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.

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https://linkinghub.elsevier.com/retrieve/pii/S22113835183021
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http://dx.doi.org/10.1016/j.apsb.2018.06.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6251813PMC
October 2018

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

J Phys Chem A 2018 Jun 18;122(22):5058-5068. Epub 2018 May 18.

Key Laboratory for Advanced Materials and School of Chemistry & Molecular Engineering, Department of Chemistry , East China University of Science and Technology , Shanghai 200237 , China.

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http://dx.doi.org/10.1021/acs.jpca.8b03385DOI Listing
June 2018