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 *

167 related articles for article (PubMed ID: 28902500)

  • 1. Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which Are Far from Equilibrium.
    Zhang BW; Deng N; Tan Z; Levy RM
    J Chem Theory Comput; 2017 Oct; 13(10):4660-4674. PubMed ID: 28902500
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The UWHAM and SWHAM Software Package.
    Zhang BW; Arasteh S; Levy RM
    Sci Rep; 2019 Feb; 9(1):2803. PubMed ID: 30808938
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A Stochastic Solution to the Unbinned WHAM Equations.
    Zhang BW; Xia J; Tan Z; Levy RM
    J Phys Chem Lett; 2015 Oct; 6(19):3834-40. PubMed ID: 26722879
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Fast Solver for Large Scale Multistate Bennett Acceptance Ratio Equations.
    Ding X; Vilseck JZ; Brooks CL
    J Chem Theory Comput; 2019 Feb; 15(2):799-802. PubMed ID: 30689377
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.
    Tan Z; Xia J; Zhang BW; Levy RM
    J Chem Phys; 2016 Jan; 144(3):034107. PubMed ID: 26801020
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ligand Binding Thermodynamic Cycles: Hysteresis, the Locally Weighted Histogram Analysis Method, and the Overlapping States Matrix.
    Cui D; Zhang BW; Tan Z; Levy RM
    J Chem Theory Comput; 2020 Jan; 16(1):67-79. PubMed ID: 31743019
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Extension of the Variational Free Energy Profile and Multistate Bennett Acceptance Ratio Methods for High-Dimensional Potential of Mean Force Profile Analysis.
    Giese TJ; Ekesan Ş; York DM
    J Phys Chem A; 2021 May; 125(19):4216-4232. PubMed ID: 33784093
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Optimization of partial multicanonical molecular dynamics simulations applied to an alanine dipeptide in explicit water solvent.
    Okumura H
    Phys Chem Chem Phys; 2011 Jan; 13(1):114-26. PubMed ID: 21038036
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enhanced sampling simulations to construct free-energy landscape of protein-partner substrate interaction.
    Ikebe J; Umezawa K; Higo J
    Biophys Rev; 2016 Mar; 8(1):45-62. PubMed ID: 28510144
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.
    Okumura H
    J Chem Phys; 2008 Sep; 129(12):124116. PubMed ID: 19045015
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theory of binless multi-state free energy estimation with applications to protein-ligand binding.
    Tan Z; Gallicchio E; Lapelosa M; Levy RM
    J Chem Phys; 2012 Apr; 136(14):144102. PubMed ID: 22502496
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dynamical origin of uniform sampling in multicanonical ensemble.
    Kim JG; Fukunishi Y; Nakamura H
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Jan; 67(1 Pt 1):011105. PubMed ID: 12636489
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems.
    Katsoulakis MA; Plechác P
    J Chem Phys; 2013 Aug; 139(7):074115. PubMed ID: 23968080
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Multicanonical Monte Carlo ensemble growth algorithm.
    Vernizzi G; Nguyen TD; Orland H; Olvera de la Cruz M
    Phys Rev E; 2020 Feb; 101(2-1):021301. PubMed ID: 32168705
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Enhanced sampling method with coarse graining of conformational space.
    Zhu W; Zhang J; Wang J; Li W; Wang W
    Phys Rev E; 2021 Mar; 103(3-1):032404. PubMed ID: 33862709
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Communication: multicanonical entropy-like solution of statistical temperature weighted histogram analysis method.
    Rizzi LG; Alves NA
    J Chem Phys; 2011 Oct; 135(14):141101. PubMed ID: 22010684
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Temperature-Accelerated Sampling and Amplified Collective Motion with Adiabatic Reweighting to Obtain Canonical Distributions and Ensemble Averages.
    Hu Y; Hong W; Shi Y; Liu H
    J Chem Theory Comput; 2012 Oct; 8(10):3777-92. PubMed ID: 26593019
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Free Energy Guided Sampling.
    Zhou T; Caflisch A
    J Chem Theory Comput; 2012 Jun; 8(6):2134-40. PubMed ID: 26593843
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate Protein-Folding Transition-Path Statistics from a Simple Free-Energy Landscape.
    Jacobs WM; Shakhnovich EI
    J Phys Chem B; 2018 Dec; 122(49):11126-11136. PubMed ID: 30091592
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations.
    Bekker GJ; Araki M; Oshima K; Okuno Y; Kamiya N
    J Phys Chem B; 2019 Mar; 123(11):2479-2490. PubMed ID: 30808168
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.