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 *

114 related articles for article (PubMed ID: 36214522)

  • 21. The importance of ensemble averaging in enzyme kinetics.
    Masgrau L; Truhlar DG
    Acc Chem Res; 2015 Feb; 48(2):431-8. PubMed ID: 25539028
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levels.
    Sun Z; He Q
    Phys Chem Chem Phys; 2022 Apr; 24(15):8800-8819. PubMed ID: 35352744
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Information Thermodynamics of the Transition-Path Ensemble.
    Louwerse MD; Sivak DA
    Phys Rev Lett; 2022 Apr; 128(17):170602. PubMed ID: 35570424
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Nudged-elastic band used to find reaction coordinates based on the free energy.
    Bohner MU; Zeman J; Smiatek J; Arnold A; Kästner J
    J Chem Phys; 2014 Feb; 140(7):074109. PubMed ID: 24559340
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Biomolecular free energy profiles by a shooting/umbrella sampling protocol, "BOLAS".
    Radhakrishnan R; Schlick T
    J Chem Phys; 2004 Aug; 121(5):2436-44. PubMed ID: 15260799
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages.
    Minh DD; Chodera JD
    J Chem Phys; 2009 Oct; 131(13):134110. PubMed ID: 19814546
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A differential fluctuation theorem.
    Maragakis P; Spichty M; Karplus M
    J Phys Chem B; 2008 May; 112(19):6168-74. PubMed ID: 18331019
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Free-energy calculations along a high-dimensional fragmented path with constrained dynamics.
    Chen C; Huang Y; Xiao Y
    Phys Rev E Stat Nonlin Soft Matter Phys; 2012 Sep; 86(3 Pt 1):031901. PubMed ID: 23030938
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Computing transition path theory quantities with trajectory stratification.
    Vani BP; Weare J; Dinner AR
    J Chem Phys; 2022 Jul; 157(3):034106. PubMed ID: 35868925
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Enhanced Jarzynski free energy calculations using weighted ensemble.
    Roussey NM; Dickson A
    J Chem Phys; 2020 Oct; 153(13):134116. PubMed ID: 33032408
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Investigating rare events with nonequilibrium work measurements. II. Transition and reaction rates.
    Moradi M; Sagui C; Roland C
    J Chem Phys; 2014 Jan; 140(3):034115. PubMed ID: 25669371
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Markovian Weighted Ensemble Milestoning (M-WEM): Long-Time Kinetics from Short Trajectories.
    Ray D; Stone SE; Andricioaei I
    J Chem Theory Comput; 2022 Jan; 18(1):79-95. PubMed ID: 34910499
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Steady-state simulations using weighted ensemble path sampling.
    Bhatt D; Zhang BW; Zuckerman DM
    J Chem Phys; 2010 Jul; 133(1):014110. PubMed ID: 20614962
    [TBL] [Abstract][Full Text] [Related]  

  • 34. An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide.
    Freedman H; Truong TN
    J Chem Phys; 2004 Dec; 121(24):12447-56. PubMed ID: 15606265
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Efficient calculation of relative binding free energies by umbrella sampling perturbation.
    Zeller F; Zacharias M
    J Comput Chem; 2014 Dec; 35(31):2256-62. PubMed ID: 25266275
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.
    Zheng L; Chen M; Yang W
    J Chem Phys; 2009 Jun; 130(23):234105. PubMed ID: 19548709
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Measurement of irreversibility and entropy production via the tubular ensemble.
    Kappler J; Adhikari R
    Phys Rev E; 2022 Apr; 105(4-1):044107. PubMed ID: 35590531
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method.
    Molloy K; Shehu A
    BMC Struct Biol; 2013; 13 Suppl 1(Suppl 1):S8. PubMed ID: 24565158
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The reweighted path ensemble.
    Rogal J; Lechner W; Juraszek J; Ensing B; Bolhuis PG
    J Chem Phys; 2010 Nov; 133(17):174109. PubMed ID: 21054008
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Reducing the cost of evaluating the committor by a fitting procedure.
    Li W; Ma A
    J Chem Phys; 2015 Nov; 143(17):174103. PubMed ID: 26547154
    [TBL] [Abstract][Full Text] [Related]  

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