229 related articles for article (PubMed ID: 27634290)
1. Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y
Zhou S; Fang D; Tan S; Lin W; Wu W; Zheng K
J Biomol Struct Dyn; 2017 Oct; 35(13):2938-2965. PubMed ID: 27634290
[TBL] [Abstract][Full Text] [Related]
2. Combined 3D-QSAR, molecular docking, and molecular dynamics study on piperazinyl-glutamate-pyridines/pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation.
Hao M; Li Y; Wang Y; Yan Y; Zhang S; Li G; Yang L
J Chem Inf Model; 2011 Oct; 51(10):2560-72. PubMed ID: 21923153
[TBL] [Abstract][Full Text] [Related]
3. Molecular mechanism of action for reversible P2Y12 antagonists.
Liu H; Ge H; Peng Y; Xiao P; Xu J
Biophys Chem; 2011 May; 155(2-3):74-81. PubMed ID: 21440362
[TBL] [Abstract][Full Text] [Related]
4. 3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors.
Chaube U; Bhatt H
Mol Divers; 2017 Aug; 21(3):741-759. PubMed ID: 28577112
[TBL] [Abstract][Full Text] [Related]
5. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
Dong L; Feng R; Bi J; Shen S; Lu H; Zhang J
J Mol Model; 2018 Mar; 24(4):86. PubMed ID: 29511885
[TBL] [Abstract][Full Text] [Related]
6. Design of novel dopamine D
Zhang C; Li Q; Meng L; Ren Y
J Biomol Struct Dyn; 2020 Feb; 38(3):860-885. PubMed ID: 30916624
[TBL] [Abstract][Full Text] [Related]
7. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
[TBL] [Abstract][Full Text] [Related]
8. Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.
Ma S; Zeng G; Fang D; Wang J; Wu W; Xie W; Tan S; Zheng K
Mol Biosyst; 2015 Feb; 11(2):394-406. PubMed ID: 25406390
[TBL] [Abstract][Full Text] [Related]
9. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
Xu Y; Liu H; Niu C; Luo C; Luo X; Shen J; Chen K; Jiang H
Bioorg Med Chem; 2004 Dec; 12(23):6193-208. PubMed ID: 15519163
[TBL] [Abstract][Full Text] [Related]
10. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
Venugopal PP; Das BK; Soorya E; Chakraborty D
Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129
[TBL] [Abstract][Full Text] [Related]
11. Molecular Modeling Study for the Design of Novel Peroxisome Proliferator-Activated Receptor Gamma Agonists using 3D-QSAR and Molecular Docking.
Jian Y; He Y; Yang J; Han W; Zhai X; Zhao Y; Li Y
Int J Mol Sci; 2018 Feb; 19(2):. PubMed ID: 29473866
[TBL] [Abstract][Full Text] [Related]
12. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.
Balasubramanian PK; Balupuri A; Cho SJ
Arch Pharm Res; 2016 Mar; 39(3):328-39. PubMed ID: 26699616
[TBL] [Abstract][Full Text] [Related]
13. Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on estrogenic activity of hydroxylated polychlorinated biphenyls.
Li X; Ye L; Wang X; Wang X; Liu H; Qian X; Zhu Y; Yu H
Sci Total Environ; 2012 Dec; 441():230-8. PubMed ID: 23137989
[TBL] [Abstract][Full Text] [Related]
14. Investigations of retinoic acid receptor-related orphan receptor-gamma t (RORγt) agonists: a combination of 3D-QSAR, molecular docking and molecular dynamics.
Chen Q; Wang F; Zhou B
J Biomol Struct Dyn; 2021 Jul; 39(10):3501-3514. PubMed ID: 32375589
[TBL] [Abstract][Full Text] [Related]
15. Investigating the binding mechanism of piperidinyl ureas inhibitors based on the UBC12-DCN1 interaction by 3D-QSAR, molecular docking and molecular dynamics simulations.
Zhao J; Zang J; Yang J; Gao QB; Yan Y; Ma C; Chen Y; Ding L; Liu HM
J Biomol Struct Dyn; 2022 Apr; 40(6):2674-2688. PubMed ID: 33183176
[TBL] [Abstract][Full Text] [Related]
16. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
17. Investigations of FAK inhibitors: a combination of 3D-QSAR, docking, and molecular dynamics simulations studies.
Cheng P; Li J; Wang J; Zhang X; Zhai H
J Biomol Struct Dyn; 2018 May; 36(6):1529-1549. PubMed ID: 28490269
[TBL] [Abstract][Full Text] [Related]
18. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
Choubey SK; Jeyaraman J
J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
[TBL] [Abstract][Full Text] [Related]
19. 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.
Ding L; Wang ZZ; Sun XD; Yang J; Ma CY; Li W; Liu HM
Bioorg Med Chem Lett; 2017 Aug; 27(15):3521-3528. PubMed ID: 28610981
[TBL] [Abstract][Full Text] [Related]
20. 3D-QSAR, molecular docking and molecular dynamics studies of a series of RORγt inhibitors.
Wang F; Yang W; Shi Y; Le G
J Biomol Struct Dyn; 2015 Sep; 33(9):1929-40. PubMed ID: 25341687
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]