191 related articles for article (PubMed ID: 28745550)
1. Improvising 5-HT
Jha P; Chaturvedi S; Swastika ; Pal S; Jain N; Mishra AK
J Biomol Struct Dyn; 2018 Aug; 36(10):2475-2494. PubMed ID: 28745550
[TBL] [Abstract][Full Text] [Related]
2. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
3. Homology modeling, docking, and molecular dynamics simulation of the receptor GALR2 and its interactions with galanin and a positive allosteric modulator.
Hui WQ; Cheng Q; Liu TY; Ouyang Q
J Mol Model; 2016 Apr; 22(4):90. PubMed ID: 27021209
[TBL] [Abstract][Full Text] [Related]
4. In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study.
Gadhe CG; Balupuri A; Cho SJ
J Biomol Struct Dyn; 2015; 33(11):2491-510. PubMed ID: 25617117
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Insights of ligand binding in modeled h5-HT
Jha P; Chaturvedi S; Bhat R; Jain N; Mishra AK
J Biomol Struct Dyn; 2022; 40(22):11625-11637. PubMed ID: 34387135
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Impact of template choice on homology model efficiency in virtual screening.
Rataj K; Witek J; Mordalski S; Kosciolek T; Bojarski AJ
J Chem Inf Model; 2014 Jun; 54(6):1661-8. PubMed ID: 24813470
[TBL] [Abstract][Full Text] [Related]
9. Molecular dynamics and integrated pharmacophore-based identification of dual [Formula: see text] inhibitors.
Kaur M; Singh PK; Singh M; Bahadur R; Silakari O
Mol Divers; 2018 Feb; 22(1):95-112. PubMed ID: 29138965
[TBL] [Abstract][Full Text] [Related]
10. An integrated molecular modeling approach for in silico design of new tetracyclic derivatives as ALK inhibitors.
Peddi SR; Sivan SK; Manga V
J Recept Signal Transduct Res; 2016 Oct; 36(5):488-504. PubMed ID: 26758803
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Can human allergy drug fexofenadine, an antagonist of histamine (H
Sader S; Cai J; Muller ACG; Wu C
J Mol Graph Model; 2017 Aug; 75():106-116. PubMed ID: 28544909
[TBL] [Abstract][Full Text] [Related]
13. Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor.
Khoddami M; Nadri H; Moradi A; Sakhteman A
J Mol Model; 2015 Feb; 21(2):36. PubMed ID: 25650117
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Ligand-supported homology modeling of the human angiotensin II type 1 (AT(1)) receptor: insights into the molecular determinants of telmisartan binding.
Patny A; Desai PV; Avery MA
Proteins; 2006 Dec; 65(4):824-42. PubMed ID: 17034041
[TBL] [Abstract][Full Text] [Related]
16. Model of the whole rat AT1 receptor and the ligand-binding site.
Baleanu-Gogonea C; Karnik S
J Mol Model; 2006 Feb; 12(3):325-37. PubMed ID: 16404618
[TBL] [Abstract][Full Text] [Related]
17. Assessing protein-ligand binding modes with computational tools: the case of PDE4B.
Çifci G; Aviyente V; Akten ED; Monard G
J Comput Aided Mol Des; 2017 Jun; 31(6):563-575. PubMed ID: 28534194
[TBL] [Abstract][Full Text] [Related]
18. Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studies.
Chinnasamy S; Chinnasamy S; Nagamani S; Muthusamy K
J Biomol Struct Dyn; 2015; 33(7):1516-27. PubMed ID: 25192471
[TBL] [Abstract][Full Text] [Related]
19. The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs.
Tarcsay A; Paragi G; Vass M; Jójárt B; Bogár F; Keserű GM
J Chem Inf Model; 2013 Nov; 53(11):2990-9. PubMed ID: 24116387
[TBL] [Abstract][Full Text] [Related]
20. CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2.
Ding X; Hayes RL; Vilseck JZ; Charles MK; Brooks CL
J Comput Aided Mol Des; 2018 Jan; 32(1):89-102. PubMed ID: 28884249
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
