BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

168 related articles for article (PubMed ID: 26592294)

  • 1. Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions.
    Mashimo T; Fukunishi Y; Kamiya N; Takano Y; Fukuda I; Nakamura H
    J Chem Theory Comput; 2013 Dec; 9(12):5599-609. PubMed ID: 26592294
    [TBL] [Abstract][Full Text] [Related]  

  • 2. myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme.
    Kasahara K; Ma B; Goto K; Dasgupta B; Higo J; Fukuda I; Mashimo T; Akiyama Y; Nakamura H
    Biophys Physicobiol; 2016; 13():209-216. PubMed ID: 27924276
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular dynamics simulations of double-stranded DNA in an explicit solvent model with the zero-dipole summation method.
    Arakawa T; Kamiya N; Nakamura H; Fukuda I
    PLoS One; 2013; 8(10):e76606. PubMed ID: 24124577
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Simple and accurate scheme to compute electrostatic interaction: zero-dipole summation technique for molecular system and application to bulk water.
    Fukuda I; Kamiya N; Yonezawa Y; Nakamura H
    J Chem Phys; 2012 Aug; 137(5):054314. PubMed ID: 22894355
    [TBL] [Abstract][Full Text] [Related]  

  • 5. An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware.
    Harvey MJ; De Fabritiis G
    J Chem Theory Comput; 2009 Sep; 5(9):2371-7. PubMed ID: 26616618
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accelerating electrostatic interaction calculations with graphical processing units based on new developments of Ewald method using non-uniform fast Fourier transform.
    Yang SC; Wang YL; Jiao GS; Qian HJ; Lu ZY
    J Comput Chem; 2016 Jan; 37(3):378-87. PubMed ID: 26584145
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Graphics Processing Unit Acceleration and Parallelization of GENESIS for Large-Scale Molecular Dynamics Simulations.
    Jung J; Naurse A; Kobayashi C; Sugita Y
    J Chem Theory Comput; 2016 Oct; 12(10):4947-4958. PubMed ID: 27631425
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals.
    Kazachenko S; Giovinazzo M; Hall KW; Cann NM
    J Comput Chem; 2015 Sep; 36(24):1787-804. PubMed ID: 26174435
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.
    Fukuda I; Kamiya N; Nakamura H
    J Chem Phys; 2014 May; 140(19):194307. PubMed ID: 24852538
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields.
    Vatamanu J; Borodin O; Bedrov D
    J Chem Theory Comput; 2018 Feb; 14(2):768-783. PubMed ID: 29294281
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation results.
    Chialvo AA; Vlcek L
    J Phys Chem B; 2014 Nov; 118(47):13658-70. PubMed ID: 25363893
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A GPU solvent-solvent interaction calculation accelerator for biomolecular simulations using the GROMOS software.
    Schmid N; Bötschi M; van Gunsteren WF
    J Comput Chem; 2010 Jun; 31(8):1636-43. PubMed ID: 20127715
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accelerating molecular modeling applications with graphics processors.
    Stone JE; Phillips JC; Freddolino PL; Hardy DJ; Trabuco LG; Schulten K
    J Comput Chem; 2007 Dec; 28(16):2618-40. PubMed ID: 17894371
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A Graphics Processing Unit Implementation of Coulomb Interaction in Molecular Dynamics.
    Jha PK; Sknepnek R; Guerrero-García GI; Olvera de la Cruz M
    J Chem Theory Comput; 2010 Oct; 6(10):3058-65. PubMed ID: 26616769
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system.
    Fukuda I
    J Chem Phys; 2013 Nov; 139(17):174107. PubMed ID: 24206287
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide.
    Baker JA; Hirst JD
    Faraday Discuss; 2014; 169():343-57. PubMed ID: 25340544
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)].
    Laino T; Hutter J
    J Chem Phys; 2008 Aug; 129(7):074102. PubMed ID: 19044755
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The polarizable point dipoles method with electrostatic damping: implementation on a model system.
    Sala J; Guàrdia E; Masia M
    J Chem Phys; 2010 Dec; 133(23):234101. PubMed ID: 21186852
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ewald Summation for Molecular Simulations.
    Wells BA; Chaffee AL
    J Chem Theory Comput; 2015 Aug; 11(8):3684-95. PubMed ID: 26574452
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.