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AntiFormer: graph enhanced large language model for binding affinity prediction
Journal article
Wang, Qing, Feng, Yuzhou, Wang, Yanfei, Li, Bo, Wen, Jianguo, Zhou, Xiaobo, Song, Qianqian. AntiFormer: graph enhanced large language model for binding affinity prediction[J]. Briefings in Bioinformatics, 2024, 25(5), bbae403.
Authors:
Wang, Qing
;
Feng, Yuzhou
;
Wang, Yanfei
;
Li, Bo
;
Wen, Jianguo
; et al.
Favorite
|
TC[WOS]:
0
TC[Scopus]:
0
IF:
6.8
/
7.9
|
Submit date:2024/09/03
Antibody Binding Affinity
Antibody Maturation
Large Language Model
Single-cell Bcr
Transient interactions modulate the affinity of NF-κB transcription factors for DNA
Journal article
Li, Tianjie, Shahabi, Shandy, Biswas, Tapan, Tsodikov, Oleg V., Pan, Wenfei, Huang, De-bin, Wang, Vivien Ya-Fan, Wang, Yi, Ghosh, Gourisankar. Transient interactions modulate the affinity of NF-κB transcription factors for DNA[J]. PNAS, 2024, 121(23), e2405555121.
Authors:
Li, Tianjie
;
Shahabi, Shandy
;
Biswas, Tapan
;
Tsodikov, Oleg V.
;
Pan, Wenfei
; et al.
Favorite
|
TC[WOS]:
0
TC[Scopus]:
0
IF:
9.4
/
10.8
|
Submit date:2024/07/03
Kappa-b
C-rel
Binding Affinity
Gene-expression
Specificity
Dynamics
Site
Beta
Mechanisms
Homodimer
LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds
Journal article
Shaikh, Faraz, Tai, Hio Kuan, Desai, Nirali, Siu, Shirley W.I.. LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds[J]. Journal of Cheminformatics, 2021, 13(1), 44.
Authors:
Shaikh, Faraz
;
Tai, Hio Kuan
;
Desai, Nirali
;
Siu, Shirley W.I.
Favorite
|
TC[WOS]:
15
TC[Scopus]:
16
IF:
7.1
/
9.3
|
Submit date:2021/12/09
Binding Affinity Prediction
Binding Interaction Fingerprint
Drug Repurposing
Fingerprint Similarity
Inverse Docking
Psovina
Random Forest
Target Prediction
Structure-affinity relationship of dietary anthocyanin-HSA interaction
Journal article
Zhang, Jiaojiao, Zuo, Benrong, Ulrih, Natasa Poklar, Sengupta, Pradeep K., Zheng, Xiaodong, Xiao, Jianbo. Structure-affinity relationship of dietary anthocyanin-HSA interaction[J]. JOURNAL OF BERRY RESEARCH, 2018, 8(1), 1-9.
Authors:
Zhang, Jiaojiao
;
Zuo, Benrong
;
Ulrih, Natasa Poklar
;
Sengupta, Pradeep K.
;
Zheng, Xiaodong
; et al.
Favorite
|
TC[WOS]:
14
TC[Scopus]:
14
IF:
1.5
/
1.6
|
Submit date:2018/10/30
Binding Affinity
Anthocyanidins
Anthocyanins
Human Serum Albumin
Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells
Journal article
Zhang S.-L., Zhang W., Yang Z., Hu X., Tam K.Y.. Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells[J]. European Journal of Pharmaceutical Sciences, 2017, 110, 87-92.
Authors:
Zhang S.-L.
;
Zhang W.
;
Yang Z.
;
Hu X.
;
Tam K.Y.
Favorite
|
TC[WOS]:
7
TC[Scopus]:
7
|
Submit date:2018/12/18
Anti-proliferation
Binding Affinity
Pyruvate Dehydrogenase Complex
Pyruvate Dehydrogenase Kinase
Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells
Conference paper
Zhang, Shao-Lin, Zhang, Wen, Yang, Zheng, Hu, Xiaohui, Tam, Kin Yip. Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells[C], PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS:ELSEVIER SCIENCE BV, 2017, 87-92.
Authors:
Zhang, Shao-Lin
;
Zhang, Wen
;
Yang, Zheng
;
Hu, Xiaohui
;
Tam, Kin Yip
Favorite
|
TC[WOS]:
7
TC[Scopus]:
7
|
Submit date:2018/10/30
Pyruvate Dehydrogenase Kinase
Pyruvate Dehydrogenase Complex
Anti-proliferation
Binding Affinity
Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells
Journal article
Zhang,Shao Lin, Zhang,Wen, Yang,Zheng, Hu,Xiaohui, Tam,Kin Yip. Synthesis and biological evaluation of (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides as pyruvate dehydrogenase kinase 1 (PDK1) inhibitors to reduce the growth of cancer cells[J]. European Journal of Pharmaceutical Sciences, 2017, 110, 87-92.
Authors:
Zhang,Shao Lin
;
Zhang,Wen
;
Yang,Zheng
;
Hu,Xiaohui
;
Tam,Kin Yip
Favorite
|
TC[WOS]:
7
TC[Scopus]:
7
IF:
4.3
/
4.2
|
Submit date:2021/03/04
Anti-proliferation
Binding Affinity
Pyruvate Dehydrogenase Complex
Pyruvate Dehydrogenase Kinase
Evaluation of affinity interaction between small molecules and platelets by open tubular affinity capillary electrochromatography
Journal article
Wang F.-Q., Zhang Q., Li C.-H., Wang Y.-Z., Hu Y.-J., Zhang Q.-H., Xia Z.-N., Yang F.-Q.. Evaluation of affinity interaction between small molecules and platelets by open tubular affinity capillary electrochromatography[J]. Electrophoresis, 2016, 37(5-6), 736-743.
Authors:
Wang F.-Q.
;
Zhang Q.
;
Li C.-H.
;
Wang Y.-Z.
;
Hu Y.-J.
; et al.
Favorite
|
TC[WOS]:
12
TC[Scopus]:
13
|
Submit date:2018/12/28
Affinity Interaction
Anti-platelet Aggregation Activity
Binding Constant
Open Tubular Affinity Capillary Electrochromatography
Retention Factor
Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP
Journal article
Zhang,Shao Lin, Yao,Huankai, Wang,Chenyin, Tam,Kin Y.. Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP[J]. Bioorganic and Medicinal Chemistry Letters, 2014, 24(21), 4963-4968.
Authors:
Zhang,Shao Lin
;
Yao,Huankai
;
Wang,Chenyin
;
Tam,Kin Y.
Favorite
|
TC[WOS]:
17
TC[Scopus]:
17
IF:
2.5
/
2.4
|
Submit date:2021/03/04
Binding Affinity
Fluconazole
Fluorescence Spectrum
Human Serum Albumin
Molecular Docking
Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP
Journal article
Zhang S.-L., Yao H., Wang C., Tam K.Y.. Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP[J]. Bioorganic and Medicinal Chemistry Letters, 2014, 24(21), 4963-4968.
Authors:
Zhang S.-L.
;
Yao H.
;
Wang C.
;
Tam K.Y.
Favorite
|
TC[WOS]:
17
TC[Scopus]:
17
|
Submit date:2018/12/18
Binding Affinity
Fluconazole
Fluorescence Spectrum
Human Serum Albumin
Molecular Docking