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 *

195 related articles for article (PubMed ID: 34900139)

  • 1. Structure-based protein-ligand interaction fingerprints for binding affinity prediction.
    Wang DD; Chan MT; Yan H
    Comput Struct Biotechnol J; 2021; 19():6291-6300. PubMed ID: 34900139
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Proteo-chemometrics interaction fingerprints of protein-ligand complexes predict binding affinity.
    Wang DD; Xie H; Yan H
    Bioinformatics; 2021 Sep; 37(17):2570-2579. PubMed ID: 33650636
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Protein-ligand binding affinity prediction based on profiles of intermolecular contacts.
    Wang DD; Chan MT
    Comput Struct Biotechnol J; 2022; 20():1088-1096. PubMed ID: 35317230
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning.
    Rodríguez-Pérez R; Miljković F; Bajorath J
    J Cheminform; 2020 May; 12(1):36. PubMed ID: 33431025
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints.
    Fujimoto KJ; Minami S; Yanai T
    ACS Omega; 2022 Jun; 7(22):19030-19039. PubMed ID: 35694525
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Extended connectivity interaction features: improving binding affinity prediction through chemical description.
    Sánchez-Cruz N; Medina-Franco JL; Mestres J; Barril X
    Bioinformatics; 2021 Jun; 37(10):1376-1382. PubMed ID: 33226061
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions.
    Shen C; Hu Y; Wang Z; Zhang X; Zhong H; Wang G; Yao X; Xu L; Cao D; Hou T
    Brief Bioinform; 2021 Jan; 22(1):497-514. PubMed ID: 31982914
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.
    Li Z; Huang R; Xia M; Patterson TA; Hong H
    Biomolecules; 2024 Jan; 14(1):. PubMed ID: 38254672
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Leveraging scaffold information to predict protein-ligand binding affinity with an empirical graph neural network.
    Xia C; Feng SH; Xia Y; Pan X; Shen HB
    Brief Bioinform; 2023 Jan; 24(1):. PubMed ID: 36627113
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.
    Lenselink EB; Jespers W; van Vlijmen HW; IJzerman AP; van Westen GJ
    J Chem Inf Model; 2016 Oct; 56(10):2053-2060. PubMed ID: 27626908
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular interaction fingerprint approaches for GPCR drug discovery.
    Vass M; Kooistra AJ; Ritschel T; Leurs R; de Esch IJ; de Graaf C
    Curr Opin Pharmacol; 2016 Oct; 30():59-68. PubMed ID: 27479316
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction.
    Liu X; Feng H; Wu J; Xia K
    Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33837771
    [TBL] [Abstract][Full Text] [Related]  

  • 15. ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions.
    Zhang X; Shen C; Guo X; Wang Z; Weng G; Ye Q; Wang G; He Q; Yang B; Cao D; Hou T
    J Cheminform; 2021 Feb; 13(1):6. PubMed ID: 33541407
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
    Liu J; Su M; Liu Z; Li J; Li Y; Wang R
    BMC Bioinformatics; 2017 Jul; 18(1):343. PubMed ID: 28720122
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
    Kooistra AJ; Leurs R; de Esch IJ; de Graaf C
    J Chem Inf Model; 2015 May; 55(5):1045-61. PubMed ID: 25848966
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?
    Shen C; Weng G; Zhang X; Leung EL; Yao X; Pang J; Chai X; Li D; Wang E; Cao D; Hou T
    Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33418562
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Neural networks prediction of the protein-ligand binding affinity with circular fingerprints.
    Yin Z; Song W; Li B; Wang F; Xie L; Xu X
    Technol Health Care; 2023; 31(S1):487-495. PubMed ID: 37066944
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 10.