BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

200 related articles for article (PubMed ID: 23072688)

  • 1. How good are state-of-the-art docking tools in predicting ligand binding modes in protein-protein interfaces?
    Krüger DM; Jessen G; Gohlke H
    J Chem Inf Model; 2012 Nov; 52(11):2807-11. PubMed ID: 23072688
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.
    Beato C; Beccari AR; Cavazzoni C; Lorenzi S; Costantino G
    J Chem Inf Model; 2013 Jun; 53(6):1503-17. PubMed ID: 23590204
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E; Walters WP; Charifson PS
    Proteins; 2004 Aug; 56(2):235-49. PubMed ID: 15211508
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Assessing protein-ligand docking for the binding of organometallic compounds to proteins.
    Ortega-Carrasco E; Lledós A; Maréchal JD
    J Comput Chem; 2014 Jan; 35(3):192-8. PubMed ID: 24375319
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Binding affinity prediction for protein-ligand complexes based on β contacts and B factor.
    Liu Q; Kwoh CK; Li J
    J Chem Inf Model; 2013 Nov; 53(11):3076-85. PubMed ID: 24191692
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Blind docking of 260 protein-ligand complexes with EADock 2.0.
    Grosdidier A; Zoete V; Michielin O
    J Comput Chem; 2009 Oct; 30(13):2021-30. PubMed ID: 19130502
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.
    Hetényi C; Maran U; Karelson M
    J Chem Inf Comput Sci; 2003; 43(5):1576-83. PubMed ID: 14502492
    [TBL] [Abstract][Full Text] [Related]  

  • 8. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H; Buning C; Rarey M; Lengauer T
    J Mol Biol; 2001 Apr; 308(2):377-95. PubMed ID: 11327774
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV; Novikov FN; Stroylov VS; Kulkov V; Chilov GG
    J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Preparation and refinement of model protein-ligand complexes.
    Orry AJ; Abagyan R
    Methods Mol Biol; 2012; 857():351-73. PubMed ID: 22323230
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.
    Plewczynski D; Łaźniewski M; Augustyniak R; Ginalski K
    J Comput Chem; 2011 Mar; 32(4):742-55. PubMed ID: 20812323
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparative assessment of scoring functions on a diverse test set.
    Cheng T; Li X; Li Y; Liu Z; Wang R
    J Chem Inf Model; 2009 Apr; 49(4):1079-93. PubMed ID: 19358517
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ph4Dock: pharmacophore-based protein-ligand docking.
    Goto J; Kataoka R; Hirayama N
    J Med Chem; 2004 Dec; 47(27):6804-11. PubMed ID: 15615529
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY; Zou X
    Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
    [TBL] [Abstract][Full Text] [Related]  

  • 15. CLUB-MARTINI: Selecting Favourable Interactions amongst Available Candidates, a Coarse-Grained Simulation Approach to Scoring Docking Decoys.
    Hou Q; Lensink MF; Heringa J; Feenstra KA
    PLoS One; 2016; 11(5):e0155251. PubMed ID: 27166787
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Development and validation of a genetic algorithm for flexible docking.
    Jones G; Willett P; Glen RC; Leach AR; Taylor R
    J Mol Biol; 1997 Apr; 267(3):727-48. PubMed ID: 9126849
    [TBL] [Abstract][Full Text] [Related]  

  • 17. MolDock: a new technique for high-accuracy molecular docking.
    Thomsen R; Christensen MH
    J Med Chem; 2006 Jun; 49(11):3315-21. PubMed ID: 16722650
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Protein-ligand docking: current status and future challenges.
    Sousa SF; Fernandes PA; Ramos MJ
    Proteins; 2006 Oct; 65(1):15-26. PubMed ID: 16862531
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Performance of human and server prediction in CAPRI rounds 38-45.
    Duan R; Qiu L; Xu X; Ma Z; Merideth BR; Shyu CR; Zou X
    Proteins; 2020 Aug; 88(8):1110-1120. PubMed ID: 32483825
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electrostatics in proteins and protein-ligand complexes.
    Kukić P; Nielsen JE
    Future Med Chem; 2010 Apr; 2(4):647-66. PubMed ID: 21426012
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.