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 *

131 related articles for article (PubMed ID: 38329095)

  • 41. Chasing collective variables using temporal data-driven strategies.
    Chen H; Chipot C
    QRB Discov; 2023; 4():e2. PubMed ID: 37564298
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Taming Rugged Free Energy Landscapes Using an Average Force.
    Fu H; Shao X; Cai W; Chipot C
    Acc Chem Res; 2019 Nov; 52(11):3254-3264. PubMed ID: 31680510
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A Review.
    Miao Y; McCammon JA
    Mol Simul; 2016; 42(13):1046-1055. PubMed ID: 27453631
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Simulating rare events using a weighted ensemble-based string method.
    Adelman JL; Grabe M
    J Chem Phys; 2013 Jan; 138(4):044105. PubMed ID: 23387566
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Exploration of high dimensional free energy landscapes by a combination of temperature-accelerated sliced sampling and parallel biasing.
    Gupta A; Verma S; Javed R; Sudhakar S; Srivastava S; Nair NN
    J Comput Chem; 2022 Jun; 43(17):1186-1200. PubMed ID: 35510789
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Enhanced sampling and free energy calculations for protein simulations.
    Liao Q
    Prog Mol Biol Transl Sci; 2020; 170():177-213. PubMed ID: 32145945
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Machine learning approaches for analyzing and enhancing molecular dynamics simulations.
    Wang Y; Lamim Ribeiro JM; Tiwary P
    Curr Opin Struct Biol; 2020 Apr; 61():139-145. PubMed ID: 31972477
    [TBL] [Abstract][Full Text] [Related]  

  • 48. A Look Inside the Black Box of Machine Learning Photodynamics Simulations.
    Li J; Lopez SA
    Acc Chem Res; 2022 Jul; 55(14):1972-1984. PubMed ID: 35796602
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Effective Riemannian Diffusion Model for Conformational Dynamics of Biomolecular Systems.
    Fakharzadeh A; Moradi M
    J Phys Chem Lett; 2016 Dec; 7(24):4980-4987. PubMed ID: 27973909
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Using sketch-map coordinates to analyze and bias molecular dynamics simulations.
    Tribello GA; Ceriotti M; Parrinello M
    Proc Natl Acad Sci U S A; 2012 Apr; 109(14):5196-201. PubMed ID: 22427357
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Advances in enhanced sampling along adaptive paths of collective variables.
    Pérez de Alba Ortíz A; Tiwari A; Puthenkalathil RC; Ensing B
    J Chem Phys; 2018 Aug; 149(7):072320. PubMed ID: 30134692
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Permutationally Invariant Networks for Enhanced Sampling (PINES): Discovery of Multimolecular and Solvent-Inclusive Collective Variables.
    Herringer NSM; Dasetty S; Gandhi D; Lee J; Ferguson AL
    J Chem Theory Comput; 2024 Jan; 20(1):178-198. PubMed ID: 38150421
    [TBL] [Abstract][Full Text] [Related]  

  • 53. 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]  

  • 54. Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space.
    Ketkaew R; Creazzo F; Luber S
    J Phys Chem Lett; 2022 Feb; 13(7):1797-1805. PubMed ID: 35171614
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics.
    Hradiská H; Kurečka M; Beránek J; Tedeschi G; Višňovský V; Křenek A; Spiwok V
    J Phys Chem B; 2024 Feb; 128(4):903-913. PubMed ID: 38237064
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Machine learning classification of trajectories from molecular dynamics simulations of chromosome segregation.
    Geisel D; Lenz P
    PLoS One; 2022; 17(1):e0262177. PubMed ID: 35061790
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint.
    Kolossváry I; Sherman W
    J Phys Chem B; 2023 Jun; 127(23):5214-5229. PubMed ID: 37279354
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Predictive collective variable discovery with deep Bayesian models.
    Schöberl M; Zabaras N; Koutsourelakis PS
    J Chem Phys; 2019 Jan; 150(2):024109. PubMed ID: 30646713
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Activation of Abl1 Kinase Explored Using Well-Tempered Metadynamics Simulations on an Essential Dynamics Sampled Path.
    Oruganti B; Friedman R
    J Chem Theory Comput; 2021 Nov; 17(11):7260-7270. PubMed ID: 34647743
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation.
    Nayarisseri A; Khandelwal R; Madhavi M; Selvaraj C; Panwar U; Sharma K; Hussain T; Singh SK
    Curr Top Med Chem; 2020; 20(24):2146-2167. PubMed ID: 32621718
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.