BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

186 related articles for article (PubMed ID: 26805727)

  • 21. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
    J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
    [TBL] [Abstract][Full Text] [Related]  

  • 22. A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.
    Amini A; Shrimpton PJ; Muggleton SH; Sternberg MJ
    Proteins; 2007 Dec; 69(4):823-31. PubMed ID: 17910057
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Cross-docking study on InhA inhibitors: a combination of Autodock Vina and PM6-DH2 simulations to retrieve bio-active conformations.
    Stigliani JL; Bernardes-Génisson V; Bernadou J; Pratviel G
    Org Biomol Chem; 2012 Aug; 10(31):6341-9. PubMed ID: 22751934
    [TBL] [Abstract][Full Text] [Related]  

  • 24. DrugScoreRNA--knowledge-based scoring function to predict RNA-ligand interactions.
    Pfeffer P; Gohlke H
    J Chem Inf Model; 2007; 47(5):1868-76. PubMed ID: 17705464
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Shape-based virtual screening, docking, and molecular dynamics simulations to identify Mtb-ASADH inhibitors.
    Kumar R; Garg P; Bharatam PV
    J Biomol Struct Dyn; 2015; 33(5):1082-93. PubMed ID: 24875451
    [TBL] [Abstract][Full Text] [Related]  

  • 26. In Silico Design of Novel Sirtuin 1 Enzyme Activators for the Treatment of Age-related Diseases and Life Span.
    Ertan-Bolelli T; Bolelli K
    Curr Comput Aided Drug Des; 2021; 17(3):412-420. PubMed ID: 32321406
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
    Virtanen SI; Pentikäinen OT
    J Chem Inf Model; 2010 Jun; 50(6):1005-11. PubMed ID: 20504004
    [TBL] [Abstract][Full Text] [Related]  

  • 28. The plasticizer BBP selectively inhibits epigenetic regulator sirtuins.
    Zhang J; Ali HI; Bedi YS; Choudhury M
    Toxicology; 2015 Dec; 338():130-41. PubMed ID: 26520405
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Identification of STAT1 and STAT3 specific inhibitors using comparative virtual screening and docking validation.
    Szelag M; Czerwoniec A; Wesoly J; Bluyssen HA
    PLoS One; 2015; 10(2):e0116688. PubMed ID: 25710482
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.
    Kumar A; Roy S; Tripathi S; Sharma A
    J Biomol Struct Dyn; 2016; 34(2):239-49. PubMed ID: 25707809
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Computational fishing of new DNA methyltransferase inhibitors from natural products.
    Maldonado-Rojas W; Olivero-Verbel J; Marrero-Ponce Y
    J Mol Graph Model; 2015 Jul; 60():43-54. PubMed ID: 26099696
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products.
    Floresta G; Amata E; Gentile D; Romeo G; Marrazzo A; Pittalà V; Salerno L; Rescifina A
    Mar Drugs; 2019 Feb; 17(2):. PubMed ID: 30759842
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 1001 Ways to run AutoDock Vina for virtual screening.
    Jaghoori MM; Bleijlevens B; Olabarriaga SD
    J Comput Aided Mol Des; 2016 Mar; 30(3):237-49. PubMed ID: 26897747
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.
    Dixit A; Verkhivker GM
    J Chem Inf Model; 2012 Oct; 52(10):2501-15. PubMed ID: 22992037
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN; Abagyan RA
    J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A systematic methodology for large scale compound screening: A case study on the discovery of novel S1PL inhibitors.
    Deniz U; Ozkirimli E; Ulgen KO
    J Mol Graph Model; 2016 Jan; 63():110-24. PubMed ID: 26724452
    [TBL] [Abstract][Full Text] [Related]  

  • 37. How much successful are the medicinal chemists in modulation of SIRT1: A critical review.
    Kumar A; Chauhan S
    Eur J Med Chem; 2016 Aug; 119():45-69. PubMed ID: 27153347
    [TBL] [Abstract][Full Text] [Related]  

  • 38. BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock.
    Vaqué M; Arola A; Aliagas C; Pujadas G
    Bioinformatics; 2006 Jul; 22(14):1803-4. PubMed ID: 16720587
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase.
    Petersen GO; Saxena S; Renuka J; Soni V; Yogeeswari P; Santos DS; Bizarro CV; Sriram D
    J Mol Graph Model; 2015 Jul; 60():124-31. PubMed ID: 26043661
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Structure-based computational approaches for small-molecule modulation of protein-protein interactions.
    Xu D; Wang B; Meroueh SO
    Methods Mol Biol; 2015; 1278():77-92. PubMed ID: 25859944
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.