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Prediction of Solvate Based on Graph Attention Network
期刊论文
CRYSTAL GROWTH & DESIGN, 2025, 卷号: 25, 期号: 2
作者:
Sun, Shihui
;
Wang, Jian-Rong
;
Tang, Lei
;
Fan, Zhehuan
;
Li, Xutong
Adobe PDF(4799Kb)
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收藏
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浏览/下载:59/1
|
提交时间:2025/01/13
Physicochemical properties
Active pharmaceuticals ingredients
Attention mechanisms
Crystal properties
Crystallization process
Drug quality
Graph neural networks
Model-based OPC
Neural network model
Pharmaceutical development
Residual solvents
Editorial: Incorporating Phase 0 microdosing as a powerful tool into a new vision of drug development
期刊论文
FRONTIERS IN PHARMACOLOGY, 2024, 卷号: 15
作者:
Weiss, H. Markus
;
Sugiyama, Yuichi
;
van Duijn, Esther
Adobe PDF(515Kb)
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收藏
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浏览/下载:366/1
|
提交时间:2024/08/14
Phase 0
microdosing
drug discovery and development
intra-target microdosing (ITM)
exploratory clinical trials
3R's
modeling and simulations
vulnarable populations
Discovery of natural catechol derivatives as covalent SARS-CoV-2 3CLpro inhibitors
期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 264
作者:
Wang, Feng
;
Liu, Donglan
;
Gao, Dingding
;
Yuan, Jinwei
;
Zhao, Jingxian
Adobe PDF(3867Kb)
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浏览/下载:375/2
|
提交时间:2024/03/22
Amino acids
Binding energy
Chlorine compounds
Diseases
Drug products
Health risks
Lead compounds
Molecular dynamics
Phenols
Antiviral activities
Antiviral therapy
Catechol derivatives
Covalent inhibitor
Drug development
Inhibitory activity
Inhibitory effect
Natural products
Protease inhibitor
SARS-CoV-2 3c-like protease
Rapid Self-Assembly Mini-Livers Protect Mice Against Severe Hepatectomy-Induced Liver Failure
期刊论文
ADVANCED SCIENCE, 2024, 卷号: 11, 期号: 21
作者:
Miaomiao Luo, Jiahui Lai, Enhua Zhang, Yue Ma, Runbang He, Lina Mao, Bo Deng, Junjin Zhu, Yan Ding, Jialyu Huang, Bin Xue, Qiangsong Wang, Mingming Zhang, Pengyu Huang
Adobe PDF(8411Kb)
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收藏
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浏览/下载:310/0
|
提交时间:2024/04/02
Artificial organs
Self assembly
Stem cells
Acute liver injury
Bioartificial liver
Disease models
Drug development
Hepatocytes
Liver failure
Model drugs
Organoids
Rapid self assembly
Regenerative medicine
Reducing overconfident errors in molecular property classification using Posterior Network
期刊论文
PATTERNS, 2024, 卷号: 5, 期号: 6
作者:
Fan, Zhehuan
;
Yu, Jie
;
Zhang, Xiang
;
Chen, Yijie
;
Sun, Shihui
Adobe PDF(2007Kb)
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收藏
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浏览/下载:151/0
|
提交时间:2024/06/07
Computational chemistry
Deep learning
Drug products
Artificial intelligence-aided drug design
Classification models
Drug Design
Drug development
Molecular properties
Property classification
QSAR
Trustworthy AI
Uncertainty estimation
Uncertainty quantifications
Applications of macrocyclic molecules in cancer therapy: Target cancer development or overcome drug resistance
期刊论文
MEDCOMM-ONCOLOGY, 2023, 卷号: 2, 期号: e50
作者:
Xiaoling Song
;
Yifan Wu
;
Xiaojuan Qu
;
Biao Jiang
Adobe PDF(2797Kb)
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收藏
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浏览/下载:570/7
|
提交时间:2023/09/05
cancer therapy, drug development, drug resistance, macrocyclic molecules, targeted therapy
GPCR structural characterization by NMR spectroscopy in solution
期刊论文
ACTA BIOCHIMICA ET BIOPHYSICA SINICA, 2022, 卷号: 54, 期号: 9
作者:
Yang, Lingyun
;
Liu, Dongsheng
;
Wuethrich, Kurt
Adobe PDF(1243Kb)
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收藏
|
浏览/下载:510/2
|
提交时间:2023/01/16
G protein-coupled receptor dynamics
stable-isotope labeling
fluorine-19 NMR
GPCR biology
drug development
Structure genomics of SARS-CoV-2 and its Omicron variant: drug design templates for COVID-19
期刊论文
ACTA PHARMACOLOGICA SINICA, 2022
作者:
Wu, Can-rong
;
Yin, Wan-chao
;
Jiang, Yi
;
Xu, H. Eric
Adobe PDF(4109Kb)
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收藏
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浏览/下载:644/196
|
提交时间:2022/02/11
COVID-19
SARS-CoV-2
structural biology
omicron
drug design
vaccine development
Photocatalytic Late-Stage C-H Functionalization
期刊论文
CHEMICAL REVIEWS, 2022, 卷号: 123, 期号: 8, 页码: 4237-4352
作者:
Bellotti, Peter
;
Huang, Huan-Ming
;
Faber, Teresa
;
Glorius, Frank
Adobe PDF(38959Kb)
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收藏
|
浏览/下载:171/1
|
提交时间:2023/03/10
Agricultural chemicals
Arsenals
'current
C-H functionalization
Chemo-selectivity
Drug development
Energy source
Functionalizations
Late stage
Low energy photons
Photo-catalytic
Work-flows
Survival-Assured Liver Injury Preconditioning (SALIC) Enables Robust Expansion of Human Hepatocytes in Fah–/–Rag2–/–IL2rg–/– Rats
期刊论文
ADVANCED SCIENCE, 2021, 卷号: 8, 期号: 19
作者:
Zhang, Ludi
;
Ge, Jian-Yun
;
Zheng, Yun-Wen
;
Sun, Zhen
;
Wang, Chenhua
Adobe PDF(15916Kb)
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收藏
|
浏览/下载:296/0
|
提交时间:2021/12/03
Diseases
Expansion
Metabolites
Drug development
Hepatocyte transplantation
Human hepatocytes
Liver injuries
Microenvironments
Pre
Treatment
Time interval
Transcriptomes
bioreactor
humanized liver
liver xeno-repopulation
pharmacological study
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