1398 related articles for article (PubMed ID: 30052133)
1. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
2. Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation.
Li Y; Pu Y; Liu H; Zhang L; Liu X; Li Y; Zuo Z
J Comput Aided Mol Des; 2018 Sep; 32(9):901-915. PubMed ID: 30182144
[TBL] [Abstract][Full Text] [Related]
3. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
4. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
5. Identification of Flavonoids as Putative ROS-1 Kinase Inhibitors Using Pharmacophore Modeling for NSCLC Therapeutics.
Parate S; Kumar V; Hong JC; Lee KW
Molecules; 2021 Apr; 26(8):. PubMed ID: 33917039
[TBL] [Abstract][Full Text] [Related]
6. Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase.
Li Y; Wu DM; Kong LM; Zhang S; Du H; Sun W; Zhang L; Li Y; Zuo Z
Future Med Chem; 2019 Aug; 11(15):1889-1906. PubMed ID: 31517534
[No Abstract] [Full Text] [Related]
7. Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin-dependent kinase 2.
Sharma M; Sharma N; Muddassir M; Rahman QI; Dwivedi UN; Akhtar S
J Biomol Struct Dyn; 2022; 40(20):9815-9832. PubMed ID: 34151738
[TBL] [Abstract][Full Text] [Related]
8. Identification of novel NAD(P)H dehydrogenase [quinone] 1 antagonist using computational approaches.
Selvakumar R; Anantha Krishnan D; Ramakrishnan C; Velmurugan D; Gunasekaran K
J Biomol Struct Dyn; 2020 Feb; 38(3):682-696. PubMed ID: 30806580
[TBL] [Abstract][Full Text] [Related]
9. Discover potential inhibitors for PFKFB3 using 3D-QSAR, virtual screening, molecular docking and molecular dynamics simulation.
Bao Y; Zhou L; Dai D; Zhu X; Hu Y; Qiu Y
J Recept Signal Transduct Res; 2018; 38(5-6):413-431. PubMed ID: 30822195
[TBL] [Abstract][Full Text] [Related]
10. Pharmacophore-based virtual screening, molecular docking and molecular dynamics studies for the discovery of novel neuraminidase inhibitors.
Lotfi B; Mebarka O; Khan SU; Htar TT
J Biomol Struct Dyn; 2024 Jul; 42(10):5308-5320. PubMed ID: 37334701
[TBL] [Abstract][Full Text] [Related]
11. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
Saxena S; Durgam L; Guruprasad L
J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
[TBL] [Abstract][Full Text] [Related]
12. Pharmacophore modeling and virtual screening in search of novel Bruton's tyrosine kinase inhibitors.
Sharma A; Thelma BK
J Mol Model; 2019 Jun; 25(7):179. PubMed ID: 31172362
[TBL] [Abstract][Full Text] [Related]
13. Exploration of Novel Inhibitors for Bruton's Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation.
Bavi R; Kumar R; Choi L; Woo Lee K
PLoS One; 2016; 11(1):e0147190. PubMed ID: 26784025
[TBL] [Abstract][Full Text] [Related]
14. Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.
Balakumar C; Ramesh M; Tham CL; Khathi SP; Kozielski F; Srinivasulu C; Hampannavar GA; Sayyad N; Soliman ME; Karpoormath R
J Biomol Struct Dyn; 2018 Nov; 36(14):3687-3704. PubMed ID: 29064326
[TBL] [Abstract][Full Text] [Related]
15. Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer.
Mohan A; Krishnamoorthy S; Sabanayagam R; Schwenk G; Feng E; Ji HF; Muthusami S
Eur J Pharmacol; 2023 Oct; 957():175961. PubMed ID: 37549730
[TBL] [Abstract][Full Text] [Related]
16. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
17. Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors.
Hammad S; Bouaziz-Terrachet S; Meghnem R; Meziane D
J Mol Model; 2020 May; 26(6):160. PubMed ID: 32472293
[TBL] [Abstract][Full Text] [Related]
18. Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations.
Zhang Y; Zhang TJ; Tu S; Zhang ZH; Meng FH
Molecules; 2020 Sep; 25(18):. PubMed ID: 32911607
[TBL] [Abstract][Full Text] [Related]
19. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
Jethwa M; Gangopadhyay A; Saha A
J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
[TBL] [Abstract][Full Text] [Related]
20. Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations.
Li Y; Liu X; Zhang S; Wang L; Zhang L; Zuo Z
J Biomol Struct Dyn; 2022 Feb; 40(3):1172-1181. PubMed ID: 33016857
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]