122 related articles for article (PubMed ID: 37902556)
1. Inhibitor screening for volume-sensitive LRRC8A chloride channel.
Liu C; Cui W; Zhu K; Yuan S; Sun L; Liang Y; Lu J; Li D; Deng Z; Duan L; Zhang W; Yu X; Wang D; Zhang H
J Biomol Struct Dyn; 2023 Oct; ():1-9. PubMed ID: 37902556
[TBL] [Abstract][Full Text] [Related]
2. Benchmarked molecular docking integrated molecular dynamics stability analysis for prediction of SARS-CoV-2 papain-like protease inhibition by olive secoiridoids.
Thangavel N; Albratty M
J King Saud Univ Sci; 2023 Jan; 35(1):102402. PubMed ID: 36338939
[TBL] [Abstract][Full Text] [Related]
3. New molecular insights for 4
Mehta CC; Rohit S; Patel S; Bhatt HG
J Biomol Struct Dyn; 2023; 41(22):13496-13508. PubMed ID: 36755438
[TBL] [Abstract][Full Text] [Related]
4. Identifying potential inhibitors of C-X-C motif chemokine ligand10 against vitiligo: structure-based virtual screening, molecular dynamics simulation, and principal component analysis.
Khan MKA; Alouffi S; Ahmad S
J Biomol Struct Dyn; 2023 Aug; ():1-18. PubMed ID: 37565326
[TBL] [Abstract][Full Text] [Related]
5. Structure-based virtual screening, molecular docking, molecular dynamics simulation and MM/PBSA calculations towards identification of steroidal and non-steroidal selective glucocorticoid receptor modulators.
Zare F; Solhjoo A; Sadeghpour H; Sakhteman A; Dehshahri A
J Biomol Struct Dyn; 2023; 41(16):7640-7650. PubMed ID: 36134594
[TBL] [Abstract][Full Text] [Related]
6. High-throughput virtual screening of novel potent inhibitor(s) for Human Vanin-1 enzyme.
Gurung AB; Bhutia JT; Bhattacharjee A
J Biomol Struct Dyn; 2022 Jun; 40(9):4208-4223. PubMed ID: 33289461
[TBL] [Abstract][Full Text] [Related]
7. Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.
Varadharajan V; Arumugam GS; Shanmugam S
J Biomol Struct Dyn; 2022 Oct; 40(17):7852-7867. PubMed ID: 33764269
[TBL] [Abstract][Full Text] [Related]
8. Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of
Kumar N; Srivastava R; Prakash A; Lynn AM
J Biomol Struct Dyn; 2020 Jul; 38(11):3396-3410. PubMed ID: 31422761
[TBL] [Abstract][Full Text] [Related]
9. Molecular modelling of SdiA protein by selected flavonoid and terpenes compounds to attenuate virulence in
Adeosun IJ; Baloyi I; Aljoundi AK; Salifu EY; Ibrahim MA; Cosa S
J Biomol Struct Dyn; 2023 Nov; 41(19):9938-9956. PubMed ID: 36416609
[No Abstract] [Full Text] [Related]
10. Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against
Naz S; Farooq U; Khan S; Sarwar R; Mabkhot YN; Saeed M; Alsayari A; Muhsinah AB; Ul-Haq Z
J Biomol Struct Dyn; 2021 Feb; 39(2):610-620. PubMed ID: 31937192
[TBL] [Abstract][Full Text] [Related]
11. Repurposing of phyto-ligand molecules from the honey bee products for Alzheimer's disease as novel inhibitors of BACE-1: small molecule bioinformatics strategies as amyloid-based therapy.
Nisa N; Rasmita B; Arati C; Uditraj C; Siddhartha R; Dinata R; Bhanushree B; Bidanchi RM; Manikandan B; Laskar SA; Abinash G; Pori B; Roy VK; Gurusubramanian G
Environ Sci Pollut Res Int; 2023 Apr; 30(17):51143-51169. PubMed ID: 36808033
[TBL] [Abstract][Full Text] [Related]
12. Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis.
Jha RK; Khan RJ; Amera GM; Singh E; Pathak A; Jain M; Muthukumaran J; Singh AK
J Mol Model; 2020 Oct; 26(11):304. PubMed ID: 33068184
[TBL] [Abstract][Full Text] [Related]
13. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.
Kumari G; Nigam VK; Pandey DM
J Biomol Struct Dyn; 2023 Apr; 41(6):2478-2491. PubMed ID: 35105279
[TBL] [Abstract][Full Text] [Related]
14. Computational Screening of Neuropilin-1 Unveils Novel Potential Anti-SARS-CoV-2 Therapeutics.
Afiadenyo M; Adams L; Agoni C; Moane S; Mckeon-Bennett M; Obiri-Yeboah D; Singh J
Chem Biodivers; 2023 Dec; 20(12):e202301227. PubMed ID: 37878727
[TBL] [Abstract][Full Text] [Related]
15. Potential inhibitors for FKBP51: an
Barge S; Jade D; Ayyamperumal S; Manna P; Borah J; Nanjan CMJ; Nanjan MJ; Talukdar NC
J Biomol Struct Dyn; 2022; 40(24):13799-13811. PubMed ID: 34709133
[TBL] [Abstract][Full Text] [Related]
16.
Sinha P; Yadav AK
J Biomol Struct Dyn; 2024 Jul; 42(10):5001-5014. PubMed ID: 37517053
[TBL] [Abstract][Full Text] [Related]
17. Discovery of potential RSK1 inhibitors for cancer therapy using virtual screening, molecular docking, molecular dynamics simulation, and MM/GBSA calculations.
Kalin S; Comert Onder F
J Biomol Struct Dyn; 2023 Dec; ():1-21. PubMed ID: 38084766
[TBL] [Abstract][Full Text] [Related]
18. Identification of the chloride channel, leucine-rich repeat-containing protein 8, subfamily a (LRRC8A), in mouse cholangiocytes.
Shcheynikov N; Boggs K; Green A; Feranchak AP
Hepatology; 2022 Nov; 76(5):1248-1258. PubMed ID: 35445421
[TBL] [Abstract][Full Text] [Related]
19. Synthesis, Molecular Docking, Molecular Dynamics Studies, and Biological Evaluation of 4H-Chromone-1,2,3,4-tetrahydropyrimidine-5-carboxylate Derivatives as Potential Antileukemic Agents.
Dolatkhah Z; Javanshir S; Sadr AS; Hosseini J; Sardari S
J Chem Inf Model; 2017 Jun; 57(6):1246-1257. PubMed ID: 28524659
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants.
Sharma P; Joshi T; Joshi T; Chandra S; Tamta S
J Biomol Struct Dyn; 2021 Oct; 39(17):6524-6538. PubMed ID: 32748738
[No Abstract] [Full Text] [Related]
[Next] [New Search]