中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [5]
化学研究所 [2]
福建物质结构研究所 [1]
采集方式
OAI收割 [8]
内容类型
期刊论文 [8]
发表日期
2024 [1]
2023 [1]
2011 [2]
2008 [1]
2007 [1]
2006 [2]
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学科主题
Chemistry [2]
Computer S... [1]
Pharmacolo... [1]
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AI-driven antibody design with generative diffusion models: current insights and future directions
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2024, 页码: 10
作者:
He, Xin-heng
;
Li, Jun-rui
;
Xu, James
;
Shan, Hong
;
Shen, Shi-yi
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/11/05
antibodies
generative model
diffusion
de novo antibody design
CDR optimization
model evaluation
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42
作者:
Liu, Xiaohong
;
Zhang, Wei
;
Tong, Xiaochu
;
Zhong, Feisheng
;
Li, Zhaojun
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/03/27
De novo molecule design
Generative models
Deep learning
Virtual screening
Compound quality control
Engineering a zinc binding site into the de novo designed protein DS119 with a beta alpha beta structure
期刊论文
OAI收割
PROTEIN & CELL, 2011, 卷号: 2, 期号: 12, 页码: 1006-1013
作者:
Zhu, Cheng
;
Zhang, Changsheng
;
Liang, Huanhuan
;
Lai, Luhua
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/04/09
Beta Alpha Beta
De Novo
Design
Folding
Zinc-binding
Syntheses and Characterization of Two Diiron Dithiolate Complexes Containing 4-Dimethylaminopyridine
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2011, 卷号: 30, 期号: 9, 页码: 1341-1347
Q. Y. Yan
;
M. Q. Hu
;
H. M. Wen
;
H. Chen
;
C. B. Ma
;
C. N. Chen
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2012/06/06
[FeFe]-hydrogenase
aminopyridine
electrochemistry
monosubstituted
iron-iron hydrogenase
de-novo design
active-site
model complexes
coordination
chemistry
Nonnatural protein-protein interaction-pair design by key residues grafting
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 卷号: 104, 期号: 13, 页码: 5330-5335
作者:
Sen Liu
;
Liu, Shiyong
;
Zhu, Xiaolei
;
Liang, Huanhuan
;
Cao, Aoneng
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/04/09
De Novo Design Of Protein-protein Interaction Pair
Erythropoietin
Functional Site Grafting
Key Residue At Interface
Structure-based de novo design, synthesis, and biological evaluation of the indole-based PPAR gamma ligands (I)
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2006, 卷号: 16, 期号: 22, 页码: 5913-5916
作者:
Dong, Xiaochun
;
Zhang, Zhenshan
;
Wen, Ren
;
Shen, Jianhua
;
Shen, Xu
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/01/08
de novo drug design
PPAR gamma ligand
type II diabetes
indole compounds