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科研机构
上海药物研究所 [52]
内容类型
期刊论文 [52]
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2021 [2]
2020 [7]
2019 [3]
2018 [1]
2017 [2]
2016 [2]
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Chemistry [3]
Biochemist... [1]
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Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 7
作者:
Xiong, Juan
;
Zhou, Peng-Jun
;
Jiang, Hao-Wen
;
Huang, Ting
;
He, Yu-Hang
收藏
  |  
浏览/下载:89/0
  |  
提交时间:2021/11/04
forrestiacids
lipogenesis inhibitors
natural products
structure elucidation
terpenoids
Theoretical study of the interplay between double chalcogen-bonding interactions and halogen bonds in ditopic molecular module systems
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1198, 页码: 10
作者:
Wu, Han
;
Lu, Yunxiang
;
Peng, Changjun
;
Xu, Zhijian
;
Liu, Honglai
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2021/05/24
Double chalcogen bonds
Halogen bonds
Energetic effects
Ditopic modules
Theoretical calculations
Rare new bicyclic cembranoid ethers and a novel trihydroxy prenylated guaiane from the Xisha soft coral Lobophytum sp
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 103, 页码: 12
作者:
Li, Song-Wei
;
Cuadrado, Cristina
;
Huan, Xia-Juan
;
Yao, Li-Gong
;
Miao, Ze-Hong
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/12/21
Soft coral
Lobophytum
Cembranoids
Marine natural products
Quantum mechanical calculations
Engineering the Phases and Heterostructures of Ultrathin Hybrid Perovskite Nanosheets
期刊论文
ADVANCED MATERIALS, 2020, 页码: 9
作者:
Sun, Yan
;
Yin, Yao
;
Pols, Mike
;
Zhong, Jingxian
;
Huang, Zhen
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  |  
浏览/下载:52/0
  |  
提交时间:2020/12/24
2D materials
cation exchange
heterostructures
hybrid perovskites
phase engineering
Investigation of the remote acyl group participation in glycosylation from conformational perspectives by using trichloroacetimidate as the acetyl surrogate
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020, 卷号: 7, 期号: 13, 页码: 1606-1615
作者:
Xu, Ke
;
Man, Qingmin
;
Zhang, Yang
;
Guo, Jia
;
Liu, Yichu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/12/24
Quantum Mechanical-NMR-Aided Configuration and Conformation of Two Unreported Macrocycles Isolated from the Soft Coral Lobophytum sp.: Energy Calculations versus Coupling Constants
期刊论文
ORGANIC LETTERS, 2020, 卷号: 22, 期号: 11, 页码: 4093-4096
作者:
Li, Song-Wei
;
Cuadrado, Cristina
;
Yao, Li-Gong
;
Daranas, Antonio Hernandez
;
Guo, Yue-Wei
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/12/24
Structurally Interesting Diarymethane Derivatives from Securidaca inappendiculata
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2020, 页码: 5
作者:
Zhou, Bin
;
Wu, Yan
;
Gan, Lishe
;
Dalal, Seema
;
Cassera, Maria B.
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  |  
浏览/下载:36/0
  |  
提交时间:2020/07/01
Natural products
Diarymethane derivatives
Diarymethane derivative dimers
Structure elucidation
Antiplasmodial activity
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:
Peng, Cheng
;
Wang, Jinan
;
Xu, Zhijian
;
Cai, Tingting
;
Zhu, Weiliang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
adaptive steered molecular dynamics (ASMD)
binding affinity
HIV-1 protease
semi-empirical quantum mechanics
Identification and Assessments of Novel and Potent Small-Molecule Inhibitors of EED-EZH2 Interaction of Polycomb Repressive Complex 2 by Computational Methods and Biological Evaluations
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 1, 页码: 58-63
作者:
Zhu, Kongkai
;
Du, Daohai
;
Yang, Rui
;
Tao, Hongrui
;
Zhang, Hua
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
polycomb repressive complex 2
EZH2-EED interaction inhibitor
virtual screening
molecular dynamics simulation
2Ch-2N square and hexagon interactions: a combined crystallographic data analysis and computational study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 38, 页码: 21568-21576
作者:
Lu, Yunxiang
;
Li, Wenxia
;
Yang, Weiwei
;
Zhu, Zhengdan
;
Xu, Zhijian
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/07/01
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