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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