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 *

207 related articles for article (PubMed ID: 31995738)

  • 1. Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation.
    Wang J; Peng C; Yu Y; Chen Z; Xu Z; Cai T; Shao Q; Shi J; Zhu W
    Biophys J; 2020 Mar; 118(5):1009-1018. PubMed ID: 31995738
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation.
    Yu Y; Wang J; Shao Q; Shi J; Zhu W
    J Chem Phys; 2015 Mar; 142(12):125105. PubMed ID: 25833612
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis.
    Peng C; Wang J; Shi Y; Xu Z; Zhu W
    J Chem Theory Comput; 2021 Jan; 17(1):13-28. PubMed ID: 33351613
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Improving the replica-exchange molecular-dynamics method for efficient sampling in the temperature space.
    Chen C; Xiao Y; Huang Y
    Phys Rev E Stat Nonlin Soft Matter Phys; 2015 May; 91(5):052708. PubMed ID: 26066200
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method.
    Chaudhury S; Olson MA; Tawa G; Wallqvist A; Lee MS
    J Chem Theory Comput; 2012 Feb; 8(2):677-87. PubMed ID: 26596615
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Replica exchange simulation method using temperature and solvent viscosity.
    Nguyen PH
    J Chem Phys; 2010 Apr; 132(14):144109. PubMed ID: 20405987
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Fundamental Redesign of the TIGER2hs Kernel to Address Severe Parameter Sensitivity.
    Schulig L; Geist N; Delcea M; Link A; Kulke M
    J Chem Inf Model; 2022 Sep; 62(17):4200-4209. PubMed ID: 36004729
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent.
    Periole X; Mark AE
    J Chem Phys; 2007 Jan; 126(1):014903. PubMed ID: 17212515
    [TBL] [Abstract][Full Text] [Related]  

  • 9. TIGER2: an improved algorithm for temperature intervals with global exchange of replicas.
    Li X; Latour RA; Stuart SJ
    J Chem Phys; 2009 May; 130(17):174106. PubMed ID: 19425768
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Sampling conformational space of intrinsically disordered proteins in explicit solvent: Comparison between well-tempered ensemble approach and solute tempering method.
    Han M; Xu J; Ren Y
    J Mol Graph Model; 2017 Mar; 72():136-147. PubMed ID: 28092832
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Does Replica Exchange with Solute Tempering Efficiently Sample Aβ Peptide Conformational Ensembles?
    Smith AK; Lockhart C; Klimov DK
    J Chem Theory Comput; 2016 Oct; 12(10):5201-5214. PubMed ID: 27560127
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Re-Balancing Replica Exchange with Solute Tempering for Sampling Dynamic Protein Conformations.
    Zhang Y; Liu X; Chen J
    J Chem Theory Comput; 2023 Mar; 19(5):1602-1614. PubMed ID: 36791464
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations.
    Beck DA; White GW; Daggett V
    J Struct Biol; 2007 Mar; 157(3):514-23. PubMed ID: 17113307
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Multiscale implementation of infinite-swap replica exchange molecular dynamics.
    Yu TQ; Lu J; Abrams CF; Vanden-Eijnden E
    Proc Natl Acad Sci U S A; 2016 Oct; 113(42):11744-11749. PubMed ID: 27698148
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Application of biasing-potential replica-exchange simulations for loop modeling and refinement of proteins in explicit solvent.
    Kannan S; Zacharias M
    Proteins; 2010 Oct; 78(13):2809-19. PubMed ID: 20635348
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Greedy replica exchange algorithm for heterogeneous computing grids.
    Lockhart C; O'Connor J; Armentrout S; Klimov DK
    J Mol Model; 2015 Sep; 21(9):243. PubMed ID: 26311229
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation.
    Mishra SK; Kara M; Zacharias M; Koca J
    Glycobiology; 2014 Jan; 24(1):70-84. PubMed ID: 24134878
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model.
    Okur A; Wickstrom L; Layten M; Geney R; Song K; Hornak V; Simmerling C
    J Chem Theory Comput; 2006 Mar; 2(2):420-33. PubMed ID: 26626529
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Walking freely in the energy and temperature space by the modified replica exchange molecular dynamics method.
    Chen C; Huang Y
    J Comput Chem; 2016 Jun; 37(17):1565-75. PubMed ID: 27059441
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Conformational space search of Neuromedin C using replica exchange molecular dynamics and molecular dynamics.
    Sharma P; Singh P; Bisetty K; Rodriguez A; Perez JJ
    J Pept Sci; 2011 Mar; 17(3):174-83. PubMed ID: 20878681
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.