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 *

144 related articles for article (PubMed ID: 38850231)

  • 21. 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]  

  • 22. Protein domain-based prediction of drug/compound-target interactions and experimental validation on LIM kinases.
    Doğan T; Akhan Güzelcan E; Baumann M; Koyas A; Atas H; Baxendale IR; Martin M; Cetin-Atalay R
    PLoS Comput Biol; 2021 Nov; 17(11):e1009171. PubMed ID: 34843456
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Hierarchical virtual screening approaches in small molecule drug discovery.
    Kumar A; Zhang KY
    Methods; 2015 Jan; 71():26-37. PubMed ID: 25072167
    [TBL] [Abstract][Full Text] [Related]  

  • 24. EDock-ML: A web server for using ensemble docking with machine learning to aid drug discovery.
    Chandak T; Wong CF
    Protein Sci; 2021 May; 30(5):1087-1097. PubMed ID: 33733530
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors.
    Jabeen A; de March CA; Matsunami H; Ranganathan S
    Int J Mol Sci; 2021 Oct; 22(21):. PubMed ID: 34768977
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Machine Learning Classification Models to Improve the Docking-based Screening: A Case of PI3K-Tankyrase Inhibitors.
    Berishvili VP; Voronkov AE; Radchenko EV; Palyulin VA
    Mol Inform; 2018 Nov; 37(11):e1800030. PubMed ID: 29901257
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Machine learning approaches and their applications in drug discovery and design.
    Priya S; Tripathi G; Singh DB; Jain P; Kumar A
    Chem Biol Drug Des; 2022 Jul; 100(1):136-153. PubMed ID: 35426249
    [TBL] [Abstract][Full Text] [Related]  

  • 28. FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
    Zhou H; Cao H; Skolnick J
    J Chem Inf Model; 2021 Apr; 61(4):2074-2089. PubMed ID: 33724022
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.
    Sadybekov AA; Sadybekov AV; Liu Y; Iliopoulos-Tsoutsouvas C; Huang XP; Pickett J; Houser B; Patel N; Tran NK; Tong F; Zvonok N; Jain MK; Savych O; Radchenko DS; Nikas SP; Petasis NA; Moroz YS; Roth BL; Makriyannis A; Katritch V
    Nature; 2022 Jan; 601(7893):452-459. PubMed ID: 34912117
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Using diverse potentials and scoring functions for the development of improved machine-learned models for protein-ligand affinity and docking pose prediction.
    Demerdash ONA
    J Comput Aided Mol Des; 2021 Nov; 35(11):1095-1123. PubMed ID: 34708263
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Docking and Virtual Screening in Drug Discovery.
    Kontoyianni M
    Methods Mol Biol; 2017; 1647():255-266. PubMed ID: 28809009
    [TBL] [Abstract][Full Text] [Related]  

  • 32. MTiOpenScreen: a web server for structure-based virtual screening.
    Labbé CM; Rey J; Lagorce D; Vavruša M; Becot J; Sperandio O; Villoutreix BO; Tufféry P; Miteva MA
    Nucleic Acids Res; 2015 Jul; 43(W1):W448-54. PubMed ID: 25855812
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking.
    Shim H; Kim H; Allen JE; Wulff H
    J Chem Inf Model; 2022 May; 62(10):2301-2315. PubMed ID: 35447030
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structure-Based Virtual Screening.
    Li Q; Shah S
    Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Advances in Docking.
    Sulimov VB; Kutov DC; Sulimov AV
    Curr Med Chem; 2019; 26(42):7555-7580. PubMed ID: 30182836
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Identification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein-protein interaction-oriented library and machine learning.
    Shimizu Y; Yonezawa T; Sakamoto J; Furuya T; Osawa M; Ikeda K
    Sci Rep; 2021 Apr; 11(1):7420. PubMed ID: 33795749
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Machine-learning methods for ligand-protein molecular docking.
    Crampon K; Giorkallos A; Deldossi M; Baud S; Steffenel LA
    Drug Discov Today; 2022 Jan; 27(1):151-164. PubMed ID: 34560276
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening.
    Shi Y; Zhang X; Yang Y; Cai T; Peng C; Wu L; Zhou L; Han J; Ma M; Zhu W; Xu Z
    Comput Biol Med; 2023 Sep; 164():107283. PubMed ID: 37536095
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries.
    Sivula T; Yetukuri L; Kalliokoski T; Käsnänen H; Poso A; Pöhner I
    J Chem Inf Model; 2023 Sep; 63(18):5773-5783. PubMed ID: 37655823
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.