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 *

194 related articles for article (PubMed ID: 34769065)

  • 1. V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization.
    Choi J; Lee J
    Int J Mol Sci; 2021 Oct; 22(21):. PubMed ID: 34769065
    [TBL] [Abstract][Full Text] [Related]  

  • 2. MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES.
    Kwon Y; Lee J
    J Cheminform; 2021 Mar; 13(1):24. PubMed ID: 33736687
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accelerating Molecular Docking using Machine Learning Methods.
    Bande AY; Baday S
    Mol Inform; 2024 Jun; 43(6):e202300167. PubMed ID: 38850231
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Boosted neural networks scoring functions for accurate ligand docking and ranking.
    Ashtawy HM; Mahapatra NR
    J Bioinform Comput Biol; 2018 Apr; 16(2):1850004. PubMed ID: 29495922
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction.
    Nogueira MS; Koch O
    J Chem Inf Model; 2019 Mar; 59(3):1238-1252. PubMed ID: 30802041
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation.
    McGibbon M; Money-Kyrle S; Blay V; Houston DR
    J Adv Res; 2023 Apr; 46():135-147. PubMed ID: 35901959
    [TBL] [Abstract][Full Text] [Related]  

  • 8. FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers.
    Monteiro NRC; Pereira TO; Machado ACD; Oliveira JL; Abbasi M; Arrais JP
    Comput Biol Med; 2023 Sep; 164():107285. PubMed ID: 37557054
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation.
    Xiong Y; Wang Y; Wang Y; Li C; Yusong P; Wu J; Wang Y; Gu L; Butch CJ
    J Comput Aided Mol Des; 2023 Nov; 37(11):507-517. PubMed ID: 37550462
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening.
    Durai P; Ko YJ; Pan CH; Park K
    BMC Bioinformatics; 2020 Jul; 21(1):309. PubMed ID: 32664863
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Task-Specific Scoring Functions for Predicting Ligand Binding Poses and Affinity and for Screening Enrichment.
    Ashtawy HM; Mahapatra NR
    J Chem Inf Model; 2018 Jan; 58(1):119-133. PubMed ID: 29190087
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes.
    Pason LP; Sotriffer CA
    Mol Inform; 2016 Dec; 35(11-12):541-548. PubMed ID: 27870243
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization.
    Ghanakota P; Bos PH; Konze KD; Staker J; Marques G; Marshall K; Leswing K; Abel R; Bhat S
    J Chem Inf Model; 2020 Sep; 60(9):4311-4325. PubMed ID: 32484669
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines.
    LaBute MX; Zhang X; Lenderman J; Bennion BJ; Wong SE; Lightstone FC
    PLoS One; 2014; 9(9):e106298. PubMed ID: 25191698
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Machine learning in computational docking.
    Khamis MA; Gomaa W; Ahmed WF
    Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
    [TBL] [Abstract][Full Text] [Related]  

  • 16. DeepBSP-a Machine Learning Method for Accurate Prediction of Protein-Ligand Docking Structures.
    Bao J; He X; Zhang JZH
    J Chem Inf Model; 2021 May; 61(5):2231-2240. PubMed ID: 33979150
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3.
    Lam PC; Abagyan R; Totrov M
    J Comput Aided Mol Des; 2019 Jan; 33(1):35-46. PubMed ID: 30094533
    [TBL] [Abstract][Full Text] [Related]  

  • 18. BP-Dock: a flexible docking scheme for exploring protein-ligand interactions based on unbound structures.
    Bolia A; Gerek ZN; Ozkan SB
    J Chem Inf Model; 2014 Mar; 54(3):913-25. PubMed ID: 24380381
    [TBL] [Abstract][Full Text] [Related]  

  • 19. PharmaNet: Pharmaceutical discovery with deep recurrent neural networks.
    Ruiz Puentes P; Valderrama N; González C; Daza L; Muñoz-Camargo C; Cruz JC; Arbeláez P
    PLoS One; 2021; 16(4):e0241728. PubMed ID: 33901196
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 10.