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浏览/检索结果:
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Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 45, 页码: 27751-27758
作者:
Zhang, Jun
;
Wang, Yining
;
Wang, Junfeng
;
Yan, Youguo
;
Li, Jiawei
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/01/04
Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9
作者:
Wang, Lin
;
Wu, Yan
;
Yao, Sheng
;
Ge, Huan
;
Zhu, Ya
收藏
  |  
浏览/下载:86/0
  |  
提交时间:2021/11/04
SARS-CoV-2
natural products
virtual screening
spike protein
protein-protein interaction modulators
Design, synthesis, and biological evaluation of tetrahydroquinolin derivatives as potent inhibitors of CBP bromodomain
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 101, 页码: 11
作者:
Chen, Yu
;
Bi, Xiaoyang
;
Zhang, Fengcai
;
Sun, Zhongya
;
Xu, Pan
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/12/24
In silico screening
Drug design
CBP
Bromodomain
Inhibitor
Acute Myeloblastic Leukemia
Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:
Zou, Yi
;
Hu, Yue
;
Ge, Shushan
;
Zheng, Yingbo
;
Li, Yuezhen
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/07/01
IDO1
Heme
T cell
Cancer immunotherapy
Virtual screening
Drug design
Molecular dynamics simulation
DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 17, 期号: 5, 页码: 478-495
作者:
Wan, Fangping
;
Zhu, Yue
;
Hu, Hailin
;
Dai, Antao
;
Cai, Xiaoqing
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/07/01
Deep learning
Machine learning
Drug discovery
In silico drug screening
Compound-protein interaction prediction
Efficient ligand discovery from natural herbs by integrating virtual screening, affinity mass spectrometry and targeted metabolomics
期刊论文
ANALYST, 2019, 卷号: 144, 期号: 9, 页码: 2881-2890
作者:
Wang, Zhihua
;
Liang, Hao
;
Cao, Haijie
;
Zhang, Bingjie
;
Li, Jun
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/07/01
In silico screening of anti-inflammatory constituents with good drug-like properties from twigs of Cinnamomum cassia based on molecular docking and network pharmacology
期刊论文
2019, 卷号: 18, 期号: 10, 页码: 2125-2131
作者:
Zhang, Qing[1]
;
Li, Ruolan[1]
;
Liu, Jia[1]
;
Peng, Wei[1]
;
Gao, Yongxiang[2]
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/12/16
Artificial intelligence in drug design
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
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  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
期刊论文
MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950
作者:
Zheng, Mingyue
;
Zhao, Jihui
;
Cui, Chen
;
Fu, Zunyun
;
Li, Xutong
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/01/08
ADMET
chemical biology
drug design
in silico
lead optimization
molecular dynamics
polypharmacology
virtual screening
Inhibition of dengue viral infection by diasarone-I is associated with 2'O methyltransferase of NS5
期刊论文
EUROPEAN JOURNAL OF PHARMACOLOGY, 2018, 卷号: 821, 页码: 11-20
作者:
Yao, Xingang
;
Ling, Yun
;
Guo, Songxin
;
He, Shijun
;
Wang, Jinan
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2019/01/08
DENV2
Acorus tatarinowii Schott
Diasarone-I
2'O
methyltransferase
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