183 related articles for article (PubMed ID: 31024312)
1. Importance of Incorporating Protein Flexibility in Molecule Modeling: A Theoretical Study on Type I
Shen C; Liu H; Wang X; Lei T; Wang E; Xu L; Yu H; Li D; Yao X
Front Pharmacol; 2019; 10():345. PubMed ID: 31024312
[TBL] [Abstract][Full Text] [Related]
2. Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.
Kong X; Sun H; Pan P; Zhu F; Chang S; Xu L; Li Y; Hou T
Phys Chem Chem Phys; 2018 Feb; 20(7):4851-4863. PubMed ID: 29383359
[TBL] [Abstract][Full Text] [Related]
3. Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors.
Kong X; Pan P; Li D; Tian S; Li Y; Hou T
Phys Chem Chem Phys; 2015 Feb; 17(8):6098-113. PubMed ID: 25644934
[TBL] [Abstract][Full Text] [Related]
4. Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations.
Shen M; Zhou S; Li Y; Pan P; Zhang L; Hou T
Mol Biosyst; 2013 Mar; 9(3):361-74. PubMed ID: 23340525
[TBL] [Abstract][Full Text] [Related]
5. Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.
Tang X; Wang Z; Lei T; Zhou W; Chang S; Li D
Phys Chem Chem Phys; 2018 Feb; 20(8):5591-5605. PubMed ID: 29270587
[TBL] [Abstract][Full Text] [Related]
6. Identification of new NIK inhibitors by discriminatory analysis-based molecular docking and biological evaluation.
Cheng G; Mei XB; Yan YY; Chen J; Zhang B; Li J; Dong XW; Lin NM; Zhou YB
Arch Pharm (Weinheim); 2019 Jul; 352(7):e1800374. PubMed ID: 31116887
[TBL] [Abstract][Full Text] [Related]
7. Importance of protein flexibility in ranking ERK2 Type I
Niu Y; Yao X; Ji H
RSC Adv; 2019 Apr; 9(22):12441-12454. PubMed ID: 35515820
[TBL] [Abstract][Full Text] [Related]
8. Understanding microscopic binding of macrophage migration inhibitory factor with phenolic hydrazones by molecular docking, molecular dynamics simulations and free energy calculations.
Xu L; Li Y; Li L; Zhou S; Hou T
Mol Biosyst; 2012 Sep; 8(9):2260-73. PubMed ID: 22739754
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
[TBL] [Abstract][Full Text] [Related]
11. Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods.
Wang Z; Wang X; Kang Y; Zhong H; Shen C; Yao X; Cao D; Hou T
Phys Chem Chem Phys; 2020 Mar; 22(10):5487-5499. PubMed ID: 32101223
[TBL] [Abstract][Full Text] [Related]
12. Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design.
Shen M; Zhou S; Li Y; Li D; Hou T
Mol Biosyst; 2013 Oct; 9(10):2435-46. PubMed ID: 23881296
[TBL] [Abstract][Full Text] [Related]
13. The crystal structure of the catalytic domain of the NF-κB inducing kinase reveals a narrow but flexible active site.
de Leon-Boenig G; Bowman KK; Feng JA; Crawford T; Everett C; Franke Y; Oh A; Stanley M; Staben ST; Starovasnik MA; Wallweber HJ; Wu J; Wu LC; Johnson AR; Hymowitz SG
Structure; 2012 Oct; 20(10):1704-14. PubMed ID: 22921830
[TBL] [Abstract][Full Text] [Related]
14. Respiratory syncytial virus influences NF-kappaB-dependent gene expression through a novel pathway involving MAP3K14/NIK expression and nuclear complex formation with NF-kappaB2.
Choudhary S; Boldogh S; Garofalo R; Jamaluddin M; Brasier AR
J Virol; 2005 Jul; 79(14):8948-59. PubMed ID: 15994789
[TBL] [Abstract][Full Text] [Related]
15. Molecular dynamics simulation and free energy calculation studies of kinase inhibitors binding to active and inactive conformations of VEGFR-2.
Wu X; Wan S; Wang G; Jin H; Li Z; Tian Y; Zhu Z; Zhang J
J Mol Graph Model; 2015 Mar; 56():103-12. PubMed ID: 25594497
[TBL] [Abstract][Full Text] [Related]
16. Structure-Based Design of Tricyclic NF-κB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
Castanedo GM; Blaquiere N; Beresini M; Bravo B; Brightbill H; Chen J; Cui HF; Eigenbrot C; Everett C; Feng J; Godemann R; Gogol E; Hymowitz S; Johnson A; Kayagaki N; Kohli PB; Knüppel K; Kraemer J; Krüger S; Loke P; McEwan P; Montalbetti C; Roberts DA; Smith M; Steinbacher S; Sujatha-Bhaskar S; Takahashi R; Wang X; Wu LC; Zhang Y; Staben ST
J Med Chem; 2017 Jan; 60(2):627-640. PubMed ID: 28005357
[TBL] [Abstract][Full Text] [Related]
17. Involvement of a novel Rac/RhoA guanosine triphosphatase-nuclear factor-kappaB inducing kinase signaling pathway mediating angiotensin II-induced RelA transactivation.
Choudhary S; Lu M; Cui R; Brasier AR
Mol Endocrinol; 2007 Sep; 21(9):2203-17. PubMed ID: 17595324
[TBL] [Abstract][Full Text] [Related]
18. Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility.
Tian S; Sun H; Pan P; Li D; Zhen X; Li Y; Hou T
J Chem Inf Model; 2014 Oct; 54(10):2664-79. PubMed ID: 25233367
[TBL] [Abstract][Full Text] [Related]
19. farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.
Wang Z; Wang X; Li Y; Lei T; Wang E; Li D; Kang Y; Zhu F; Hou T
Bioinformatics; 2019 May; 35(10):1777-1779. PubMed ID: 30329012
[TBL] [Abstract][Full Text] [Related]
20. NIK-IKK complex interaction controls NF-κB-dependent inflammatory activation of endothelium in response to LTβR ligation.
Kucharzewska P; Maracle CX; Jeucken KCM; van Hamburg JP; Israelsson E; Furber M; Tas SW; Olsson HK
J Cell Sci; 2019 Apr; 132(7):. PubMed ID: 30837284
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
