189 related articles for article (PubMed ID: 31521622)
21. Inverse screening of Simvastatin kinase targets from glioblastoma druggable kinome.
Li Y; Wei X; Wang Q; Li W; Yang T
Comput Biol Chem; 2020 Jun; 86():107243. PubMed ID: 32172201
[TBL] [Abstract][Full Text] [Related]
22. Kinase-kernel models: accurate in silico screening of 4 million compounds across the entire human kinome.
Martin E; Mukherjee P
J Chem Inf Model; 2012 Jan; 52(1):156-70. PubMed ID: 22133092
[TBL] [Abstract][Full Text] [Related]
23. Development of Ligand-based Big Data Deep Neural Network Models for Virtual Screening of Large Compound Libraries.
Xiao T; Qi X; Chen Y; Jiang Y
Mol Inform; 2018 Nov; 37(11):e1800031. PubMed ID: 29882343
[TBL] [Abstract][Full Text] [Related]
24. Scalable prediction of compound-protein interactions using minwise hashing.
Tabei Y; Yamanishi Y
BMC Syst Biol; 2013; 7 Suppl 6(Suppl 6):S3. PubMed ID: 24564870
[TBL] [Abstract][Full Text] [Related]
25. Panel docking of small-molecule libraries - Prospects to improve efficiency of lead compound discovery.
Sarnpitak P; Mujumdar P; Taylor P; Cross M; Coster MJ; Gorse AD; Krasavin M; Hofmann A
Biotechnol Adv; 2015 Nov; 33(6 Pt 1):941-7. PubMed ID: 26025037
[TBL] [Abstract][Full Text] [Related]
26. Assessing protein kinase target similarity: Comparing sequence, structure, and cheminformatics approaches.
Gani OA; Thakkar B; Narayanan D; Alam KA; Kyomuhendo P; Rothweiler U; Tello-Franco V; Engh RA
Biochim Biophys Acta; 2015 Oct; 1854(10 Pt B):1605-16. PubMed ID: 26001898
[TBL] [Abstract][Full Text] [Related]
27. SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning.
Wu Z; Cheng F; Li J; Li W; Liu G; Tang Y
Brief Bioinform; 2017 Mar; 18(2):333-347. PubMed ID: 26944082
[TBL] [Abstract][Full Text] [Related]
28. Identification of small-molecule EGFR allosteric inhibitors by high-throughput docking.
Caporuscio F; Tinivella A; Restelli V; Semrau MS; Pinzi L; Storici P; Broggini M; Rastelli G
Future Med Chem; 2018 Jul; 10(13):1545-1553. PubMed ID: 29766737
[TBL] [Abstract][Full Text] [Related]
29. Cross-reactivity virtual profiling of the human kinome by X-react(KIN): a chemical systems biology approach.
Brylinski M; Skolnick J
Mol Pharm; 2010 Dec; 7(6):2324-33. PubMed ID: 20958088
[TBL] [Abstract][Full Text] [Related]
30. Applications of chemogenomic library screening in drug discovery.
Jones LH; Bunnage ME
Nat Rev Drug Discov; 2017 Apr; 16(4):285-296. PubMed ID: 28104905
[TBL] [Abstract][Full Text] [Related]
31. Conformational analysis of the DFG-out kinase motif and biochemical profiling of structurally validated type II inhibitors.
Vijayan RS; He P; Modi V; Duong-Ly KC; Ma H; Peterson JR; Dunbrack RL; Levy RM
J Med Chem; 2015 Jan; 58(1):466-79. PubMed ID: 25478866
[TBL] [Abstract][Full Text] [Related]
32. Open-source chemogenomic data-driven algorithms for predicting drug-target interactions.
Hao M; Bryant SH; Wang Y
Brief Bioinform; 2019 Jul; 20(4):1465-1474. PubMed ID: 29420684
[TBL] [Abstract][Full Text] [Related]
33. Identification and Pharmacological Analysis of High Efficacy Small Molecule Inhibitors of EGF-EGFR Interactions in Clinical Treatment of Non-Small Cell Lung Carcinoma: a Computational Approach.
Gudala S; Khan U; Kanungo N; Bandaru S; Hussain T; Parihar M; Nayarisseri A; Mundluru HP
Asian Pac J Cancer Prev; 2015; 16(18):8191-6. PubMed ID: 26745059
[TBL] [Abstract][Full Text] [Related]
34. Novel kinase inhibitors by reshuffling ligand functionalities across the human kinome.
Vidović D; Muskal SM; Schürer SC
J Chem Inf Model; 2012 Dec; 52(12):3107-15. PubMed ID: 23121521
[TBL] [Abstract][Full Text] [Related]
35. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
36. Computational prediction of drug-target interactions using chemogenomic approaches: an empirical survey.
Ezzat A; Wu M; Li XL; Kwoh CK
Brief Bioinform; 2019 Jul; 20(4):1337-1357. PubMed ID: 29377981
[TBL] [Abstract][Full Text] [Related]
37. Early repositioning through compound set enrichment analysis: a knowledge-recycling strategy.
Temesi G; Bolgár B; Arany A; Szalai C; Antal P; Mátyus P
Future Med Chem; 2014 Apr; 6(5):563-75. PubMed ID: 24649958
[TBL] [Abstract][Full Text] [Related]
38. Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles.
Kothiwale S; Borza C; Pozzi A; Meiler J
Molecules; 2017 Sep; 22(9):. PubMed ID: 28925954
[TBL] [Abstract][Full Text] [Related]
39. Using machine learning to improve ensemble docking for drug discovery.
Chandak T; Mayginnes JP; Mayes H; Wong CF
Proteins; 2020 Oct; 88(10):1263-1270. PubMed ID: 32401384
[TBL] [Abstract][Full Text] [Related]
40. A survey of the kinome pharmacopeia reveals multiple scaffolds and targets for the development of novel anthelmintics.
Knox J; Joly N; Linossi EM; Carmona-Negrón JA; Jura N; Pintard L; Zuercher W; Roy PJ
Sci Rep; 2021 Apr; 11(1):9161. PubMed ID: 33911106
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]