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 *

227 related articles for article (PubMed ID: 34706940)

  • 1. Deep learning the slow modes for rare events sampling.
    Bonati L; Piccini G; Parrinello M
    Proc Natl Acad Sci U S A; 2021 Nov; 118(44):. PubMed ID: 34706940
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Deep learning collective variables from transition path ensemble.
    Ray D; Trizio E; Parrinello M
    J Chem Phys; 2023 May; 158(20):. PubMed ID: 37212403
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Nonlinear discovery of slow molecular modes using state-free reversible VAMPnets.
    Chen W; Sidky H; Ferguson AL
    J Chem Phys; 2019 Jun; 150(21):214114. PubMed ID: 31176319
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations.
    Rydzewski J; Chen M; Ghosh TK; Valsson O
    J Chem Theory Comput; 2022 Dec; 18(12):7179-7192. PubMed ID: 36367826
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Girsanov Reweighting Enhanced Sampling Technique (GREST): On-the-Fly Data-Driven Discovery of and Enhanced Sampling in Slow Collective Variables.
    Shmilovich K; Ferguson AL
    J Phys Chem A; 2023 Apr; 127(15):3497-3517. PubMed ID: 37036804
    [TBL] [Abstract][Full Text] [Related]  

  • 6. High-Resolution Markov State Models for the Dynamics of Trp-Cage Miniprotein Constructed Over Slow Folding Modes Identified by State-Free Reversible VAMPnets.
    Sidky H; Chen W; Ferguson AL
    J Phys Chem B; 2019 Sep; 123(38):7999-8009. PubMed ID: 31453697
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations.
    Trapl D; Horvacanin I; Mareska V; Ozcelik F; Unal G; Spiwok V
    Front Mol Biosci; 2019; 6():25. PubMed ID: 31058167
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Transfer Learning from Markov Models Leads to Efficient Sampling of Related Systems.
    Sultan MM; Pande VS
    J Phys Chem B; 2018 May; 122(21):5291-5299. PubMed ID: 28938073
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Unbiasing Enhanced Sampling on a High-Dimensional Free Energy Surface with a Deep Generative Model.
    Liu Y; Ghosh TK; Lin G; Chen M
    J Phys Chem Lett; 2024 Apr; 15(14):3938-3945. PubMed ID: 38568182
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar.
    Bonati L; Trizio E; Rizzi A; Parrinello M
    J Chem Phys; 2023 Jul; 159(1):. PubMed ID: 37409767
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simple, yet powerful methodologies for conformational sampling of proteins.
    Harada R; Takano Y; Baba T; Shigeta Y
    Phys Chem Chem Phys; 2015 Mar; 17(9):6155-73. PubMed ID: 25659594
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A variational conformational dynamics approach to the selection of collective variables in metadynamics.
    McCarty J; Parrinello M
    J Chem Phys; 2017 Nov; 147(20):204109. PubMed ID: 29195289
    [TBL] [Abstract][Full Text] [Related]  

  • 13. OneOPES, a Combined Enhanced Sampling Method to Rule Them All.
    Rizzi V; Aureli S; Ansari N; Gervasio FL
    J Chem Theory Comput; 2023 Sep; 19(17):5731-5742. PubMed ID: 37603295
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning.
    Fu H; Bian H; Shao X; Cai W
    J Phys Chem Lett; 2024 Feb; 15(6):1774-1783. PubMed ID: 38329095
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes.
    Fu H; Liu H; Xing J; Zhao T; Shao X; Cai W
    J Phys Chem B; 2023 Nov; 127(46):9926-9935. PubMed ID: 37947397
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations.
    Blumer O; Reuveni S; Hirshberg B
    Nat Commun; 2024 Jan; 15(1):240. PubMed ID: 38172126
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm.
    Zhang J; Zhang O; Bonati L; Hou T
    J Chem Theory Comput; 2024 Jun; 20(11):4523-4532. PubMed ID: 38801759
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Rare Event Kinetics from Adaptive Bias Enhanced Sampling.
    Ray D; Ansari N; Rizzi V; Invernizzi M; Parrinello M
    J Chem Theory Comput; 2022 Nov; 18(11):6500-6509. PubMed ID: 36194840
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape exploration.
    Chen W; Ferguson AL
    J Comput Chem; 2018 Sep; 39(25):2079-2102. PubMed ID: 30368832
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
    Foffi G; Pastore A; Piazza F; Temussi PA
    Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.