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 *

126 related articles for article (PubMed ID: 31747267)

  • 1. Periodic Coulomb Tree Method: An Alternative to Parallel Particle Mesh Ewald.
    Boateng HA
    J Chem Theory Comput; 2020 Jan; 16(1):7-17. PubMed ID: 31747267
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multilevel summation for periodic electrostatics using B-splines.
    Kaya H; Hardy DJ; Skeel RD
    J Chem Phys; 2021 Apr; 154(14):144105. PubMed ID: 33858159
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A compression strategy for particle mesh Ewald theory.
    Simmonett AC; Brooks BR
    J Chem Phys; 2021 Feb; 154(5):054112. PubMed ID: 33557541
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method.
    Nishizawa H; Okumura H
    J Comput Chem; 2016 Dec; 37(31):2701-2711. PubMed ID: 27718264
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent.
    Li P; Roberts BP; Chakravorty DK; Merz KM
    J Chem Theory Comput; 2013 Jun; 9(6):2733-2748. PubMed ID: 23914143
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Inherent speedup limitations in multiple time step/particle mesh Ewald algorithms.
    Barash D; Yang L; Qian X; Schlick T
    J Comput Chem; 2003 Jan; 24(1):77-88. PubMed ID: 12483677
    [TBL] [Abstract][Full Text] [Related]  

  • 7. ANKH: A Generalized
    Chollet I; Lagardère L; Piquemal JP
    J Chem Theory Comput; 2023 May; 19(10):2887-2905. PubMed ID: 37134146
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations.
    Moore SG; Crozier PS
    J Chem Phys; 2014 Jun; 140(23):234112. PubMed ID: 24952528
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Fast and spectrally accurate Ewald summation for 2-periodic electrostatic systems.
    Lindbo D; Tornberg AK
    J Chem Phys; 2012 Apr; 136(16):164111. PubMed ID: 22559474
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A GPU-Accelerated Fast Multipole Method for GROMACS: Performance and Accuracy.
    Kohnke B; Kutzner C; Grubmüller H
    J Chem Theory Comput; 2020 Nov; 16(11):6938-6949. PubMed ID: 33084336
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A fast and accurate computational method for the linear-combination-based isotropic periodic sum.
    Takahashi KZ; Nozawa T; Yasuoka K
    Sci Rep; 2018 Aug; 8(1):11880. PubMed ID: 30089878
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multilevel summation method for electrostatic force evaluation.
    Hardy DJ; Wu Z; Phillips JC; Stone JE; Skeel RD; Schulten K
    J Chem Theory Comput; 2015 Feb; 11(2):766-79. PubMed ID: 25691833
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparison of the extended isotropic periodic sum and particle mesh Ewald methods for simulations of lipid bilayers and monolayers.
    Venable RM; Chen LE; Pastor RW
    J Phys Chem B; 2009 Apr; 113(17):5855-62. PubMed ID: 19351117
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system.
    Nozawa T; Takahashi KZ; Narumi T; Yasuoka K
    J Comput Chem; 2015 Dec; 36(32):2406-11. PubMed ID: 26525311
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5.
    Abraham MJ; Gready JE
    J Comput Chem; 2011 Jul; 32(9):2031-40. PubMed ID: 21469158
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle-mesh problem.
    Cerutti DS; Case DA
    J Chem Theory Comput; 2010; 6(2):443-58. PubMed ID: 22039358
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Restrained molecular dynamics of solvated duplex DNA using the particle mesh Ewald method.
    Konerding DE; Cheatham TE; Kollman PA; James TL
    J Biomol NMR; 1999 Feb; 13(2):119-31. PubMed ID: 10070753
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The ENUF method-Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application.
    Yang SC; Li B; Zhu YL; Laaksonen A; Wang YL
    J Comput Chem; 2020 Oct; 41(27):2316-2335. PubMed ID: 32808686
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An Efficient Linear-Scaling Ewald Method for Long-Range Electrostatic Interactions in Combined QM/MM Calculations.
    Nam K; Gao J; York DM
    J Chem Theory Comput; 2005 Jan; 1(1):2-13. PubMed ID: 26641110
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods.
    Cisneros GA; Piquemal JP; Darden TA
    J Chem Phys; 2006 Nov; 125(18):184101. PubMed ID: 17115732
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.