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Journal Abstract Search
436 related items for PubMed ID: 30547434
1. Performing an In Silico Repurposing of Existing Drugs by Combining Virtual Screening and Molecular Dynamics Simulation. Sohraby F, Bagheri M, Aryapour H. Methods Mol Biol; 2019; 1903():23-43. PubMed ID: 30547434 [Abstract] [Full Text] [Related]
2. Multiscale Virtual Screening Optimization for Shotgun Drug Repurposing Using the CANDO Platform. Hudson ML, Samudrala R. Molecules; 2021 Apr 28; 26(9):. PubMed ID: 33925237 [Abstract] [Full Text] [Related]
3. Rational drug repurposing for cancer by inclusion of the unbiased molecular dynamics simulation in the structure-based virtual screening approach: Challenges and breakthroughs. Sohraby F, Aryapour H. Semin Cancer Biol; 2021 Jan 28; 68():249-257. PubMed ID: 32360530 [Abstract] [Full Text] [Related]
4. Multi-Dimensional Screening Strategy for Drug Repurposing with Statistical Framework-A New Road to Influenza Drug discovery. Rohini K, Ramanathan K, Shanthi V. Cell Biochem Biophys; 2019 Dec 28; 77(4):319-333. PubMed ID: 31559538 [Abstract] [Full Text] [Related]
5. Repurposing existing drugs for new AMPK activators as a strategy to extend lifespan: a computer-aided drug discovery study. Mofidifar S, Sohraby F, Bagheri M, Aryapour H. Biogerontology; 2018 Apr 28; 19(2):133-143. PubMed ID: 29335817 [Abstract] [Full Text] [Related]
6. Paradoxical Pro-angiogenic Effect of Low-Dose Ellipticine Identified by In Silico Drug Repurposing. Oh J, Lee HH, Jeong Y, Yoon S, An HJ, Baek M, Kim DK, Lee S. Int J Mol Sci; 2021 Aug 23; 22(16):. PubMed ID: 34445773 [Abstract] [Full Text] [Related]
7. Docking and Virtual Screening in Drug Discovery. Kontoyianni M. Methods Mol Biol; 2017 Aug 23; 1647():255-266. PubMed ID: 28809009 [Abstract] [Full Text] [Related]
8. Implementation of a Pipeline Using Disease-Disease Associations for Computational Drug Repurposing. Balasundaram P, Kanagavelu R, James N, Maiti S, Veerappapillai S, Karuppaswamy R. Methods Mol Biol; 2019 Aug 23; 1903():129-148. PubMed ID: 30547440 [Abstract] [Full Text] [Related]
9. Molecular Dynamics as a Tool for Virtual Ligand Screening. Menchon G, Maveyraud L, Czaplicki G. Methods Mol Biol; 2018 Aug 23; 1762():145-178. PubMed ID: 29594772 [Abstract] [Full Text] [Related]
10. From Homology Modeling to the Hit Identification and Drug Repurposing: A Structure-Based Approach in the Discovery of Novel Potential Anti-Obesity Compounds. Costa G, Artese A, Ortuso F, Alcaro S. Methods Mol Biol; 2021 Aug 23; 2266():263-277. PubMed ID: 33759132 [Abstract] [Full Text] [Related]
14. Exploration of the structural requirements of HIV-protease inhibitors using pharmacophore, virtual screening and molecular docking approaches for lead identification. Islam MA, Pillay TS. J Mol Graph Model; 2015 Mar 23; 56():20-30. PubMed ID: 25541527 [Abstract] [Full Text] [Related]
16. Receptor-Based Virtual Screening of Large Libraries in a Multi-Level In Silico Approach. Vieira TF, Sousa SF. Methods Mol Biol; 2023 Mar 23; 2652():261-267. PubMed ID: 37093481 [Abstract] [Full Text] [Related]
18. [Computational chemistry in structure-based drug design]. Cao R, Li W, Sun HZ, Zhou Y, Huang N. Yao Xue Xue Bao; 2013 Jul 23; 48(7):1041-52. PubMed ID: 24133970 [Abstract] [Full Text] [Related]
19. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment. Zhang X, Wong SE, Lightstone FC. J Chem Inf Model; 2014 Jan 27; 54(1):324-37. PubMed ID: 24358939 [Abstract] [Full Text] [Related]