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 *

20 related articles for article (PubMed ID: 37458355)

  • 1. Transfer learning of hyperparameters for fast construction of anisotropic GPR models: design and application to the machine-learned force field FFLUX.
    Isamura BK; Popelier PLA
    Phys Chem Chem Phys; 2024 Sep; 26(36):23677-23691. PubMed ID: 39224929
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein-ligand interactions in SARS-CoV-2 M
    Mustali J; Yasuda I; Hirano Y; Yasuoka K; Gautieri A; Arai N
    RSC Adv; 2023 Nov; 13(48):34249-34261. PubMed ID: 38019981
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Efficient interatomic descriptors for accurate machine learning force fields of extended molecules.
    Kabylda A; Vassilev-Galindo V; Chmiela S; Poltavsky I; Tkatchenko A
    Nat Commun; 2023 Jun; 14(1):3562. PubMed ID: 37322039
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A Euclidean transformer for fast and stable machine learned force fields.
    Frank JT; Unke OT; Müller KR; Chmiela S
    Nat Commun; 2024 Aug; 15(1):6539. PubMed ID: 39107296
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope.
    Fonseca G; Poltavsky I; Tkatchenko A
    J Chem Theory Comput; 2023 Dec; 19(23):8706-8717. PubMed ID: 38011895
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics.
    Wang Z; Wu H; Sun L; He X; Liu Z; Shao B; Wang T; Liu TY
    J Chem Phys; 2023 Jul; 159(3):. PubMed ID: 37458355
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The emergence of machine learning force fields in drug design.
    Chen M; Jiang X; Zhang L; Chen X; Wen Y; Gu Z; Li X; Zheng M
    Med Res Rev; 2024 May; 44(3):1147-1182. PubMed ID: 38173298
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular dynamic simulations of environment and sequence dependent DNA conformations: the development of the BMS nucleic acid force field and comparison with experimental results.
    Langley DR
    J Biomol Struct Dyn; 1998 Dec; 16(3):487-509. PubMed ID: 10052609
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular Dynamics Simulations Combined with Nuclear Magnetic Resonance and/or Small-Angle X-ray Scattering Data for Characterizing Intrinsically Disordered Protein Conformational Ensembles.
    Chan-Yao-Chong M; Durand D; Ha-Duong T
    J Chem Inf Model; 2019 May; 59(5):1743-1758. PubMed ID: 30840442
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces.
    Focassio B; M Freitas LP; Schleder GR
    ACS Appl Mater Interfaces; 2024 Jul; ():. PubMed ID: 38990833
    [TBL] [Abstract][Full Text] [Related]  

  • 12.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 13.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 14.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 15.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 16.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 17.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 18.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 19.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

  • 20.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 1.