BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

272 related articles for article (PubMed ID: 30946779)

  • 21. Portals and Web-Based Resources for Virtual Screening.
    Krüger J; Thiel P; Merelli I; Grunzke R; Gesing S
    Curr Drug Targets; 2016; 17(14):1649-1660. PubMed ID: 26844570
    [TBL] [Abstract][Full Text] [Related]  

  • 22. BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.
    Fu H; Gumbart JC; Chen H; Shao X; Cai W; Chipot C
    J Chem Inf Model; 2018 Mar; 58(3):556-560. PubMed ID: 29405709
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Molecular Docking Simulations with ArgusLab.
    Bitencourt-Ferreira G; de Azevedo WF
    Methods Mol Biol; 2019; 2053():203-220. PubMed ID: 31452107
    [TBL] [Abstract][Full Text] [Related]  

  • 24. SEABED: Small molEcule activity scanner weB servicE baseD.
    Fenollosa C; Otón M; Andrio P; Cortés J; Orozco M; Goñi JR
    Bioinformatics; 2015 Mar; 31(5):773-5. PubMed ID: 25348211
    [TBL] [Abstract][Full Text] [Related]  

  • 25. GPU-Accelerated Flexible Molecular Docking.
    Fan M; Wang J; Jiang H; Feng Y; Mahdavi M; Madduri K; Kandemir MT; Dokholyan NV
    J Phys Chem B; 2021 Feb; 125(4):1049-1060. PubMed ID: 33497567
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Detailed comparison of the protein-ligand docking efficiencies of GOLD, a commercial package and ArgusLab, a licensable freeware.
    Joy S; Nair PS; Hariharan R; Pillai MR
    In Silico Biol; 2006; 6(6):601-5. PubMed ID: 17518767
    [TBL] [Abstract][Full Text] [Related]  

  • 27. GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.
    Ding Y; Fang Y; Feinstein WP; Ramanujam J; Koppelman DM; Moreno J; Brylinski M; Jarrell M
    J Comput Chem; 2015 Oct; 36(27):2013-26. PubMed ID: 26250822
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
    Ebejer JP; Finn PW; Wong WK; Deane CM; Morris GM
    J Chem Inf Model; 2019 Jun; 59(6):2600-2616. PubMed ID: 31117509
    [TBL] [Abstract][Full Text] [Related]  

  • 29. PSOVina: The hybrid particle swarm optimization algorithm for protein-ligand docking.
    Ng MC; Fong S; Siu SW
    J Bioinform Comput Biol; 2015 Jun; 13(3):1541007. PubMed ID: 25800162
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Protein structure-based drug design: from docking to molecular dynamics.
    Śledź P; Caflisch A
    Curr Opin Struct Biol; 2018 Feb; 48():93-102. PubMed ID: 29149726
    [TBL] [Abstract][Full Text] [Related]  

  • 32. CRDOCK: an ultrafast multipurpose protein-ligand docking tool.
    Cortés Cabrera Á; Klett J; Dos Santos HG; Perona A; Gil-Redondo R; Francis SM; Priego EM; Gago F; Morreale A
    J Chem Inf Model; 2012 Aug; 52(8):2300-9. PubMed ID: 22764680
    [TBL] [Abstract][Full Text] [Related]  

  • 33. DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina.
    Di Muzio E; Toti D; Polticelli F
    J Comput Aided Mol Des; 2017 Feb; 31(2):213-218. PubMed ID: 28063067
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Docking with AutoDock4.
    Bitencourt-Ferreira G; Pintro VO; de Azevedo WF
    Methods Mol Biol; 2019; 2053():125-148. PubMed ID: 31452103
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure.
    Schumann M; Armen RS
    J Comput Chem; 2013 May; 34(14):1258-69. PubMed ID: 23420703
    [TBL] [Abstract][Full Text] [Related]  

  • 36. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC
    Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.
    Kumar SP
    J Mol Graph Model; 2018 Jan; 79():194-212. PubMed ID: 29241118
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency.
    Reynolds CH; Reynolds RC
    J Chem Inf Model; 2017 Dec; 57(12):3086-3093. PubMed ID: 29111708
    [TBL] [Abstract][Full Text] [Related]  

  • 40. DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.
    Antunes DA; Moll M; Devaurs D; Jackson KR; Lizée G; Kavraki LE
    Cancer Res; 2017 Nov; 77(21):e55-e57. PubMed ID: 29092940
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.