These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

228 related articles for article (PubMed ID: 27311460)

  • 21. X-ray crystallographic structures as a source of ligand alignment in 3D-QSAR.
    Urniaż RD; Jóźwiak K
    J Chem Inf Model; 2013 Jun; 53(6):1406-14. PubMed ID: 23705769
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Structural artifacts in protein-ligand X-ray structures: implications for the development of docking scoring functions.
    Søndergaard CR; Garrett AE; Carstensen T; Pollastri G; Nielsen JE
    J Med Chem; 2009 Sep; 52(18):5673-84. PubMed ID: 19711919
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Improved pose and affinity predictions using different protocols tailored on the basis of data availability.
    Prathipati P; Nagao C; Ahmad S; Mizuguchi K
    J Comput Aided Mol Des; 2016 Sep; 30(9):817-828. PubMed ID: 27714493
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Towards in silico lead optimization: scores from ensembles of protein/ligand conformations reliably correlate with biological activity.
    Popov VM; Yee WA; Anderson AC
    Proteins; 2007 Feb; 66(2):375-87. PubMed ID: 17078091
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Identification of Protein-Ligand Binding Sites by Sequence Information and Ensemble Classifier.
    Ding Y; Tang J; Guo F
    J Chem Inf Model; 2017 Dec; 57(12):3149-3161. PubMed ID: 29125297
    [TBL] [Abstract][Full Text] [Related]  

  • 26. ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.
    Wang N; Wang L; Xie XQ
    J Chem Inf Model; 2017 Nov; 57(11):2686-2698. PubMed ID: 29016123
    [TBL] [Abstract][Full Text] [Related]  

  • 27. MDock: A Suite for Molecular Inverse Docking and Target Prediction.
    Ma Z; Zou X
    Methods Mol Biol; 2021; 2266():313-322. PubMed ID: 33759135
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q; Yang J; Liang K; Feng L; Li S; Wan J; Xu X; Yang G; Liu D; Yang S
    J Chem Inf Model; 2008 Sep; 48(9):1802-12. PubMed ID: 18707092
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Molecular Modeling and Dynamics Simulation Analysis of KATNAL1 for Identification of Novel Inhibitor of Sperm Maturation.
    Sarma K; Roychoudhury S; Bora SS; Dehury B; Parida P; Das S; Das R; Dohutia C; Nath S; Deb B; Modi MK
    Comb Chem High Throughput Screen; 2017; 20(1):82-92. PubMed ID: 28093975
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
    Liu J; Su M; Liu Z; Li J; Li Y; Wang R
    BMC Bioinformatics; 2017 Jul; 18(1):343. PubMed ID: 28720122
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Towards predictive docking at aminergic G-protein coupled receptors.
    Jakubík J; El-Fakahany EE; Doležal V
    J Mol Model; 2015 Nov; 21(11):284. PubMed ID: 26453085
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Predicted binding site information improves model ranking in protein docking using experimental and computer-generated target structures.
    Maheshwari S; Brylinski M
    BMC Struct Biol; 2015 Nov; 15():23. PubMed ID: 26597230
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Are predicted protein structures of any value for binding site prediction and virtual ligand screening?
    Skolnick J; Zhou H; Gao M
    Curr Opin Struct Biol; 2013 Apr; 23(2):191-7. PubMed ID: 23415854
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Computational predictive models for P-glycoprotein inhibition of in-house chalcone derivatives and drug-bank compounds.
    Ngo TD; Tran TD; Le MT; Thai KM
    Mol Divers; 2016 Nov; 20(4):945-961. PubMed ID: 27431577
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands.
    Bermudez M; Wolber G
    Bioorg Med Chem; 2015 Jul; 23(14):3907-12. PubMed ID: 25828056
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?
    Ramírez D; Caballero J
    Molecules; 2018 Apr; 23(5):. PubMed ID: 29710787
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An integrated molecular modeling approach for in silico design of new tetracyclic derivatives as ALK inhibitors.
    Peddi SR; Sivan SK; Manga V
    J Recept Signal Transduct Res; 2016 Oct; 36(5):488-504. PubMed ID: 26758803
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A Novel Scoring Based Distributed Protein Docking Application to Improve Enrichment.
    Pradeep P; Struble C; Neumann T; Sem DS; Merrill SJ
    IEEE/ACM Trans Comput Biol Bioinform; 2015; 12(6):1464-9. PubMed ID: 26671816
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Development and validation of a modular, extensible docking program: DOCK 5.
    Moustakas DT; Lang PT; Pegg S; Pettersen E; Kuntz ID; Brooijmans N; Rizzo RC
    J Comput Aided Mol Des; 2006; 20(10-11):601-19. PubMed ID: 17149653
    [TBL] [Abstract][Full Text] [Related]  

  • 40. A pose prediction approach based on ligand 3D shape similarity.
    Kumar A; Zhang KY
    J Comput Aided Mol Des; 2016 Jun; 30(6):457-69. PubMed ID: 27379501
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.