BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

160 related articles for article (PubMed ID: 37906702)

  • 21. Molecular Generation, QSAR, and Molecular Dynamic Simulation Studies for Virtual Screening of DNA Polymerase Theta Inhibitors.
    Qin Z; Liu L; Gao M; Feng W; Huang C; Liu W
    Curr Comput Aided Drug Des; 2024 May; ():. PubMed ID: 38779737
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Machine Learning Models Combined with Virtual Screening and Molecular Docking to Predict Human Topoisomerase I Inhibitors.
    Li B; Kang X; Zhao D; Zou Y; Huang X; Wang J; Zhang C
    Molecules; 2019 Jun; 24(11):. PubMed ID: 31167344
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Targeting Cathepsin L in Cancer Management: Leveraging Machine Learning, Structure-Based Virtual Screening, and Molecular Dynamics Studies.
    Almalki AA; Shafie A; Hazazi A; Banjer HJ; Bakhuraysah MM; Almaghrabi SA; Alsaiari AA; Alsaeedi FA; Ashour AA; Alharthi A; Alharthi NS; Anjum F
    Int J Mol Sci; 2023 Dec; 24(24):. PubMed ID: 38139037
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Performance prediction of polymer-fullerene organic solar cells and data mining-assisted designing of new polymers.
    Xiao F; Saqib M; Razzaq S; Mubashir T; Tahir MH; Moussa IM; El-Ansary HO
    J Mol Model; 2023 Aug; 29(8):270. PubMed ID: 37530879
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Development of homology model, docking protocol and Machine-Learning based scoring functions for identification of
    Ganeshpurkar A; Singh R; Kumar D; Gutti G; Sardana D; Shivhare S; Singh RB; Kumar A; Singh SK
    J Biomol Struct Dyn; 2022; 40(24):13693-13710. PubMed ID: 34696689
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Machine learning driven drug repurposing strategy for identification of potential RET inhibitors against non-small cell lung cancer.
    Ramesh P; Karuppasamy R; Veerappapillai S
    Med Oncol; 2022 Dec; 40(1):56. PubMed ID: 36542155
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Risedronate and Methotrexate Are High-Affinity Inhibitors of New Delhi Metallo-β-Lactamase-1 (NDM-1): A Drug Repurposing Approach.
    Muteeb G; Alsultan A; Farhan M; Aatif M
    Molecules; 2022 Feb; 27(4):. PubMed ID: 35209073
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Machine learning facilitated structural activity relationship approach for the discovery of novel inhibitors targeting EGFR.
    Choudhary R; Walhekar V; Muthal A; Kumar D; Bagul C; Kulkarni R
    J Biomol Struct Dyn; 2023; 41(22):12445-12463. PubMed ID: 36762704
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Machine Learning-based Virtual Screening for STAT3 Anticancer Drug Target.
    Wadood A; Ajmal A; Junaid M; Rehman AU; Uddin R; Azam SS; Khan AZ; Ali A
    Curr Pharm Des; 2022; 28(36):3023-3032. PubMed ID: 35909285
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Virtual Screening of Small Molecules Targeting BCL2 with Machine Learning, Molecular Docking, and MD Simulation.
    Tondar A; Sánchez-Herrero S; Bepari AK; Bahmani A; Calvet Liñán L; Hervás-Marín D
    Biomolecules; 2024 May; 14(5):. PubMed ID: 38785951
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Integrated machine learning, molecular docking and 3D-QSAR based approach for identification of potential inhibitors of trypanosomal N-myristoyltransferase.
    Singh N; Shah P; Dwivedi H; Mishra S; Tripathi R; Sahasrabuddhe AA; Siddiqi MI
    Mol Biosyst; 2016 Nov; 12(12):3711-3723. PubMed ID: 27766319
    [TBL] [Abstract][Full Text] [Related]  

  • 32. JAK inhibitors in immune-mediated rheumatic diseases: From a molecular perspective to clinical studies.
    Sperti M; Malavolta M; Ciniero G; Borrelli S; Cavaglià M; Muscat S; Tuszynski JA; Afeltra A; Margiotta DPE; Navarini L
    J Mol Graph Model; 2021 May; 104():107789. PubMed ID: 33472140
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics.
    Ferreira da Costa J; Silva D; Caamaño O; Brea JM; Loza MI; Munteanu CR; Pazos A; García-Mera X; González-Díaz H
    ACS Chem Neurosci; 2018 Nov; 9(11):2572-2587. PubMed ID: 29791132
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Development of piperidinyl dipyrrrolopyridine-based dual inhibitors of Janus kinase and Bruton's tyrosine kinase: a potential therapeutic probability to deal with rheumatoid arthritis.
    Pery N; Rizvi NB; Shafiq MI
    J Mol Model; 2020 Aug; 26(9):235. PubMed ID: 32808204
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1.
    Briand E; Thomsen R; Linnet K; Rasmussen HB; Brunak S; Taboureau O
    Molecules; 2019 Jul; 24(15):. PubMed ID: 31362390
    [TBL] [Abstract][Full Text] [Related]  

  • 36. In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.
    Sanachai K; Mahalapbutr P; Tabtimmai L; Seetaha S; Kaekratoke N; Chamni S; Azam SS; Choowongkomon K; Rungrotmongkol T
    Molecules; 2023 Jan; 28(2):. PubMed ID: 36677654
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Screening of Inhibitors against Idiopathic Pulmonary Fibrosis: Few-shot Machine Learning and Molecule Docking based Drug Repurposing.
    Chang J; Zou S; Xu S; Xiao Y; Zhu D
    Curr Comput Aided Drug Des; 2024; 20(2):134-144. PubMed ID: 37066777
    [TBL] [Abstract][Full Text] [Related]  

  • 38. In Silico Prediction of New Inhibitors for Kirsten Rat Sarcoma G12D Cancer Drug Target Using Machine Learning-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulation Approaches.
    Ajmal A; Danial M; Zulfat M; Numan M; Zakir S; Hayat C; Alabbosh KF; Zaki MEA; Ali A; Wei D
    Pharmaceuticals (Basel); 2024 Apr; 17(5):. PubMed ID: 38794122
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The use of machine learning modeling, virtual screening, molecular docking, and molecular dynamics simulations to identify potential VEGFR2 kinase inhibitors.
    Salimi A; Lim JH; Jang JH; Lee JY
    Sci Rep; 2022 Nov; 12(1):18825. PubMed ID: 36335233
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
    Gu S; Shen C; Yu J; Zhao H; Liu H; Liu L; Sheng R; Xu L; Wang Z; Hou T; Kang Y
    Brief Bioinform; 2023 Mar; 24(2):. PubMed ID: 36681903
    [TBL] [Abstract][Full Text] [Related]  

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