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 *

176 related articles for article (PubMed ID: 26588507)

  • 1. Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.
    Dama JF; Rotskoff G; Parrinello M; Voth GA
    J Chem Theory Comput; 2014 Sep; 10(9):3626-33. PubMed ID: 26588507
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Well-tempered metadynamics converges asymptotically.
    Dama JF; Parrinello M; Voth GA
    Phys Rev Lett; 2014 Jun; 112(24):240602. PubMed ID: 24996077
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Well-tempered metadynamics: a smoothly converging and tunable free-energy method.
    Barducci A; Bussi G; Parrinello M
    Phys Rev Lett; 2008 Jan; 100(2):020603. PubMed ID: 18232845
    [TBL] [Abstract][Full Text] [Related]  

  • 4. μ-tempered metadynamics: Artifact independent convergence times for wide hills.
    Dickson BM
    J Chem Phys; 2015 Dec; 143(23):234109. PubMed ID: 26696048
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes.
    Sun R; Dama JF; Tan JS; Rose JP; Voth GA
    J Chem Theory Comput; 2016 Oct; 12(10):5157-5169. PubMed ID: 27598403
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multisystem altruistic metadynamics-Well-tempered variant.
    Hošek P; Kříž P; Toulcová D; Spiwok V
    J Chem Phys; 2017 Mar; 146(12):125103. PubMed ID: 28388169
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction.
    Dama JF; Hocky GM; Sun R; Voth GA
    J Chem Theory Comput; 2015 Dec; 11(12):5638-50. PubMed ID: 26587809
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Adaptive-numerical-bias metadynamics.
    Khanjari N; Eslami H; Müller-Plathe F
    J Comput Chem; 2017 Dec; 38(31):2721-2729. PubMed ID: 28948616
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enhanced sampling in the well-tempered ensemble.
    Bonomi M; Parrinello M
    Phys Rev Lett; 2010 May; 104(19):190601. PubMed ID: 20866953
    [TBL] [Abstract][Full Text] [Related]  

  • 10. From metadynamics to dynamics.
    Tiwary P; Parrinello M
    Phys Rev Lett; 2013 Dec; 111(23):230602. PubMed ID: 24476246
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Free energy calculations: an efficient adaptive biasing potential method.
    Dickson BM; Legoll F; Lelièvre T; Stoltz G; Fleurat-Lessard P
    J Phys Chem B; 2010 May; 114(17):5823-30. PubMed ID: 20380408
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations.
    Cuendet MA; Tuckerman ME
    J Chem Theory Comput; 2014 Aug; 10(8):2975-86. PubMed ID: 26588271
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling.
    Yang YI; Zhang J; Che X; Yang L; Gao YQ
    J Chem Phys; 2016 Mar; 144(9):094105. PubMed ID: 26957155
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Metadynamics with Adaptive Gaussians.
    Branduardi D; Bussi G; Parrinello M
    J Chem Theory Comput; 2012 Jul; 8(7):2247-54. PubMed ID: 26588957
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation.
    Prakash A; Sprenger KG; Pfaendtner J
    Biochem Biophys Res Commun; 2018 Mar; 498(2):274-281. PubMed ID: 28720500
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessing the Reliability of the Dynamics Reconstructed from Metadynamics.
    Salvalaglio M; Tiwary P; Parrinello M
    J Chem Theory Comput; 2014 Apr; 10(4):1420-5. PubMed ID: 26580360
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Essential energy space random walk via energy space metadynamics method to accelerate molecular dynamics simulations.
    Li H; Min D; Liu Y; Yang W
    J Chem Phys; 2007 Sep; 127(9):094101. PubMed ID: 17824726
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Approaching a parameter-free metadynamics.
    Dickson BM
    Phys Rev E Stat Nonlin Soft Matter Phys; 2011 Sep; 84(3 Pt 2):037701. PubMed ID: 22060542
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Altruistic Metadynamics: Multisystem Biased Simulation.
    Hošek P; Toulcová D; Bortolato A; Spiwok V
    J Phys Chem B; 2016 Mar; 120(9):2209-15. PubMed ID: 26852938
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Well-tempered metadynamics as a tool for characterizing multi-component, crystalline molecular machines.
    Ilott AJ; Palucha S; Hodgkinson P; Wilson MR
    J Phys Chem B; 2013 Oct; 117(40):12286-95. PubMed ID: 24028495
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.