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 *

115 related articles for article (PubMed ID: 38947925)

  • 41. Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
    Awasthi S; Kapil V; Nair NN
    J Comput Chem; 2016 Jun; 37(16):1413-24. PubMed ID: 27059305
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Quantifying Energetic and Entropic Pathways in Molecular Systems.
    Beyerle ER; Mehdi S; Tiwary P
    J Phys Chem B; 2022 Jun; 126(21):3950-3960. PubMed ID: 35605180
    [TBL] [Abstract][Full Text] [Related]  

  • 43. 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]  

  • 44. InSituNet: Deep Image Synthesis for Parameter Space Exploration of Ensemble Simulations.
    He W; Wang J; Guo H; Wang KC; Shen HW; Raj M; Nashed YSG; Peterka T
    IEEE Trans Vis Comput Graph; 2020 Jan; 26(1):23-33. PubMed ID: 31425097
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Uncertainty-Oriented Ensemble Data Visualization and Exploration using Variable Spatial Spreading.
    Zhang M; Chen L; Li Q; Yuan X; Yong J
    IEEE Trans Vis Comput Graph; 2021 Feb; 27(2):1808-1818. PubMed ID: 33048703
    [TBL] [Abstract][Full Text] [Related]  

  • 46. 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]  

  • 47. Iterative Landmark-Based Umbrella Sampling (ILBUS) Protocol for Sampling of Conformational Space of Biomolecules.
    Vymětal J; Vondrášek J
    J Chem Inf Model; 2022 Oct; 62(19):4783-4798. PubMed ID: 36122323
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Calculating Protein-Ligand Residence Times Through State Predictive Information Bottleneck based Enhanced Sampling.
    Lee S; Wang D; Seeliger MA; Tiwary P
    bioRxiv; 2024 Apr; ():. PubMed ID: 38659748
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Unfolding Hidden Barriers by Active Enhanced Sampling.
    Zhang J; Chen M
    Phys Rev Lett; 2018 Jul; 121(1):010601. PubMed ID: 30028174
    [TBL] [Abstract][Full Text] [Related]  

  • 50. WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm.
    Dickson A; Brooks CL
    J Phys Chem B; 2014 Apr; 118(13):3532-42. PubMed ID: 24490961
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Assessment and optimization of collective variables for protein conformational landscape: GB1
    Ahalawat N; Mondal J
    J Chem Phys; 2018 Sep; 149(9):094101. PubMed ID: 30195312
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Deep learning path-like collective variable for enhanced sampling molecular dynamics.
    Fröhlking T; Bonati L; Rizzi V; Gervasio FL
    J Chem Phys; 2024 May; 160(17):. PubMed ID: 38748013
    [TBL] [Abstract][Full Text] [Related]  

  • 53. CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space.
    Shkurti A; Styliari ID; Balasubramanian V; Bethune I; Pedebos C; Jha S; Laughton CA
    J Chem Theory Comput; 2019 Apr; 15(4):2587-2596. PubMed ID: 30620585
    [TBL] [Abstract][Full Text] [Related]  

  • 54. A slow feature analysis approach for the optimization of collective variables.
    Gong S; Zheng Z
    J Chem Phys; 2024 Mar; 160(9):. PubMed ID: 38426510
    [TBL] [Abstract][Full Text] [Related]  

  • 55. The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.
    Zhang BW; Jasnow D; Zuckerman DM
    J Chem Phys; 2010 Feb; 132(5):054107. PubMed ID: 20136305
    [TBL] [Abstract][Full Text] [Related]  

  • 56. 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]  

  • 57. 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]  

  • 58. Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps.
    Giberti F; Tribello GA; Ceriotti M
    J Chem Theory Comput; 2021 Jun; 17(6):3292-3308. PubMed ID: 34003008
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Visual Analytics for Complex Engineering Systems: Hybrid Visual Steering of Simulation Ensembles.
    Matković K; Gračanin D; Splechtna R; Jelović M; Stehno B; Hauser H; Purgathofer W
    IEEE Trans Vis Comput Graph; 2014 Dec; 20(12):1803-12. PubMed ID: 26356894
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling.
    Ahn SH; Ojha AA; Amaro RE; McCammon JA
    J Chem Theory Comput; 2021 Dec; 17(12):7938-7951. PubMed ID: 34844409
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.