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 *

246 related articles for article (PubMed ID: 23110535)

  • 21. Understanding the challenges of protein flexibility in drug design.
    Antunes DA; Devaurs D; Kavraki LE
    Expert Opin Drug Discov; 2015 Dec; 10(12):1301-13. PubMed ID: 26414598
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.
    Heifetz A; Southey M; Morao I; Townsend-Nicholson A; Bodkin MJ
    Methods Mol Biol; 2018; 1705():375-394. PubMed ID: 29188574
    [TBL] [Abstract][Full Text] [Related]  

  • 23. SAnDReS: A Computational Tool for Docking.
    Bitencourt-Ferreira G; de Azevedo WF
    Methods Mol Biol; 2019; 2053():51-65. PubMed ID: 31452098
    [TBL] [Abstract][Full Text] [Related]  

  • 24. LIGSIFT: an open-source tool for ligand structural alignment and virtual screening.
    Roy A; Skolnick J
    Bioinformatics; 2015 Feb; 31(4):539-44. PubMed ID: 25336501
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Simulation of Ligand Transport in Receptors Using CaverDock.
    Hozzová J; Vávra O; Bednář D; Filipovič J
    Methods Mol Biol; 2021; 2266():105-124. PubMed ID: 33759123
    [TBL] [Abstract][Full Text] [Related]  

  • 27. High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations.
    Okimoto N; Futatsugi N; Fuji H; Suenaga A; Morimoto G; Yanai R; Ohno Y; Narumi T; Taiji M
    PLoS Comput Biol; 2009 Oct; 5(10):e1000528. PubMed ID: 19816553
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Post processing of protein-compound docking for fragment-based drug discovery (FBDD): in-silico structure-based drug screening and ligand-binding pose prediction.
    Fukunishi Y
    Curr Top Med Chem; 2010; 10(6):680-94. PubMed ID: 20337587
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Computational prediction of protein hot spot residues.
    Morrow JK; Zhang S
    Curr Pharm Des; 2012; 18(9):1255-65. PubMed ID: 22316154
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics, QM/MM, and fragment-based de novo design: study of binding mode of diastereomer compounds.
    Caballero J; Alzate-Morales JH; Vergara-Jaque A
    J Chem Inf Model; 2011 Nov; 51(11):2920-31. PubMed ID: 22011048
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Binding site comparison for function prediction and pharmaceutical discovery.
    Konc J; Janežič D
    Curr Opin Struct Biol; 2014 Apr; 25():34-9. PubMed ID: 24878342
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.
    Xu X; Qiu L; Yan C; Ma Z; Grinter SZ; Zou X
    Proteins; 2017 Mar; 85(3):424-434. PubMed ID: 27802576
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Comprehensive assessment of flexible-ligand docking algorithms: current effectiveness and challenges.
    Huang SY
    Brief Bioinform; 2018 Sep; 19(5):982-994. PubMed ID: 28334282
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Computational approach to de novo discovery of fragment binding for novel protein states.
    Konteatis ZD; Klon AE; Zou J; Meshkat S
    Methods Enzymol; 2011; 493():357-80. PubMed ID: 21371598
    [TBL] [Abstract][Full Text] [Related]  

  • 35. HPC Analysis of Multiple Binding Sites Communication and Allosteric Modulations in Drug Design: The HSP Case Study.
    Chiappori F; Milanesi L; Merelli I
    Curr Drug Targets; 2016; 17(14):1610-1625. PubMed ID: 26648062
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Modeling Binding Affinity of Pathological Mutations for Computational Protein Design.
    Romero-Durana M; Pallara C; Glaser F; Fernández-Recio J
    Methods Mol Biol; 2017; 1529():139-159. PubMed ID: 27914049
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Computational Discovery of Putative Leads for Drug Repositioning through Drug-Target Interaction Prediction.
    Coelho ED; Arrais JP; Oliveira JL
    PLoS Comput Biol; 2016 Nov; 12(11):e1005219. PubMed ID: 27893735
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies.
    Mirza SB; Lee RCH; Chu JJH; Salmas RE; Mavromoustakos T; Durdagi S
    J Mol Graph Model; 2018 Jan; 79():88-102. PubMed ID: 29156382
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Assessing and improving the performance of consensus docking strategies using the DockBox package.
    Preto J; Gentile F
    J Comput Aided Mol Des; 2019 Sep; 33(9):817-829. PubMed ID: 31578656
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
    Lather A; Sharma S; Khatkar A
    Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 13.