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 *

137 related articles for article (PubMed ID: 38182565)

  • 1. Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing.
    Wang Y; Wang T; Li S; He X; Li M; Wang Z; Zheng N; Shao B; Liu TY
    Nat Commun; 2024 Jan; 15(1):313. PubMed ID: 38182565
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Tensor improve equivariant graph neural network for molecular dynamics prediction.
    Jiang C; Zhang Y; Liu Y; Peng J
    Comput Biol Chem; 2024 Jun; 110():108053. PubMed ID: 38520884
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Learning local equivariant representations for large-scale atomistic dynamics.
    Musaelian A; Batzner S; Johansson A; Sun L; Owen CJ; Kornbluth M; Kozinsky B
    Nat Commun; 2023 Feb; 14(1):579. PubMed ID: 36737620
    [TBL] [Abstract][Full Text] [Related]  

  • 4. E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials.
    Batzner S; Musaelian A; Sun L; Geiger M; Mailoa JP; Kornbluth M; Molinari N; Smidt TE; Kozinsky B
    Nat Commun; 2022 May; 13(1):2453. PubMed ID: 35508450
    [TBL] [Abstract][Full Text] [Related]  

  • 5. LGGA-MPP: Local Geometry-Guided Graph Attention for Molecular Property Prediction.
    Song L; Zhu H; Wang K; Li M
    J Chem Inf Model; 2024 Apr; 64(8):3105-3113. PubMed ID: 38516950
    [TBL] [Abstract][Full Text] [Related]  

  • 6. ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction.
    Liu C; Sun Y; Davis R; Cardona ST; Hu P
    J Cheminform; 2023 Feb; 15(1):29. PubMed ID: 36843022
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Flexible Dual-Branched Message-Passing Neural Network for a Molecular Property Prediction.
    Jo J; Kwak B; Lee B; Yoon S
    ACS Omega; 2022 Feb; 7(5):4234-4244. PubMed ID: 35155916
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Equivariant Graph Neural Networks for Toxicity Prediction.
    Cremer J; Medrano Sandonas L; Tkatchenko A; Clevert DA; De Fabritiis G
    Chem Res Toxicol; 2023 Sep; 36(10):1561-73. PubMed ID: 37690056
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning.
    Gu Y; Li J; Kang H; Zhang B; Zheng S
    Molecules; 2023 Aug; 28(16):. PubMed ID: 37630234
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Equivariant Flexible Modeling of the Protein-Ligand Binding Pose with Geometric Deep Learning.
    Dong T; Yang Z; Zhou J; Chen CY
    J Chem Theory Comput; 2023 Nov; 19(22):8446-8459. PubMed ID: 37938978
    [TBL] [Abstract][Full Text] [Related]  

  • 11. PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges.
    Unke OT; Meuwly M
    J Chem Theory Comput; 2019 Jun; 15(6):3678-3693. PubMed ID: 31042390
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Scalable Parallel Algorithm for Graph Neural Network Interatomic Potentials in Molecular Dynamics Simulations.
    Park Y; Kim J; Hwang S; Han S
    J Chem Theory Comput; 2024 Jun; 20(11):4857-4868. PubMed ID: 38813770
    [TBL] [Abstract][Full Text] [Related]  

  • 13. MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction.
    Zhang XC; Wu CK; Yang ZJ; Wu ZX; Yi JC; Hsieh CY; Hou TJ; Cao DS
    Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 33951729
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Predicting scalar coupling constants by graph angle-attention neural network.
    Fang J; Hu L; Dong J; Li H; Wang H; Zhao H; Zhang Y; Liu M
    Sci Rep; 2021 Sep; 11(1):18686. PubMed ID: 34548513
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Geometry-Complete Diffusion for 3D Molecule Generation and Optimization.
    Morehead A; Cheng J
    ArXiv; 2024 May; ():. PubMed ID: 36798459
    [TBL] [Abstract][Full Text] [Related]  

  • 16. NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces.
    Haghighatlari M; Li J; Guan X; Zhang O; Das A; Stein CJ; Heidar-Zadeh F; Liu M; Head-Gordon M; Bertels L; Hao H; Leven I; Head-Gordon T
    Digit Discov; 2022 Jun; 1(3):333-343. PubMed ID: 35769203
    [TBL] [Abstract][Full Text] [Related]  

  • 17. G-RANK: an equivariant graph neural network for the scoring of protein-protein docking models.
    Kim HY; Kim S; Park WY; Kim D
    Bioinform Adv; 2023; 3(1):vbad011. PubMed ID: 36818727
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Augmented Graph Neural Network with hierarchical global-based residual connections.
    Rassil A; Chougrad H; Zouaki H
    Neural Netw; 2022 Jun; 150():149-166. PubMed ID: 35313247
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Learning Joint 2-D and 3-D Graph Diffusion Models for Complete Molecule Generation.
    Huang H; Sun L; Du B; Lv W
    IEEE Trans Neural Netw Learn Syst; 2024 Jul; PP():. PubMed ID: 38976472
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An equivariant generative framework for molecular graph-structure Co-design.
    Zhang Z; Liu Q; Lee CK; Hsieh CY; Chen E
    Chem Sci; 2023 Aug; 14(31):8380-8392. PubMed ID: 37564414
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.