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 *

195 related articles for article (PubMed ID: 25691833)

  • 1. 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]  

  • 2. 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]  

  • 3. Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.
    Hardy DJ; Wolff MA; Xia J; Schulten K; Skeel RD
    J Chem Phys; 2016 Mar; 144(11):114112. PubMed ID: 27004867
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. On the truncation of long-range electrostatic interactions in DNA.
    Norberg J; Nilsson L
    Biophys J; 2000 Sep; 79(3):1537-53. PubMed ID: 10969015
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).
    Ganesan N; Bauer BA; Lucas TR; Patel S; Taufer M
    J Comput Chem; 2011 Nov; 32(14):2958-73. PubMed ID: 21793003
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Role of lipid charge in organization of water/lipid bilayer interface: insights via computer simulations.
    Polyansky AA; Volynsky PE; Nolde DE; Arseniev AS; Efremov RG
    J Phys Chem B; 2005 Aug; 109(31):15052-9. PubMed ID: 16852905
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations.
    Wei H; Qi R; Wang J; Cieplak P; Duan Y; Luo R
    J Chem Phys; 2020 Sep; 153(11):114116. PubMed ID: 32962395
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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]  

  • 13. 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]  

  • 14. Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects.
    Collier G; Vellore NA; Latour RA; Stuart SJ
    Biointerphases; 2009 Dec; 4(4):57-64. PubMed ID: 20408725
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Long-range Lennard-Jones and electrostatic interactions in interfaces: application of the isotropic periodic sum method.
    Klauda JB; Wu X; Pastor RW; Brooks BR
    J Phys Chem B; 2007 May; 111(17):4393-400. PubMed ID: 17425357
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Direct-Space Corrections Enable Fast and Accurate Lorentz-Berthelot Combination Rule Lennard-Jones Lattice Summation.
    Wennberg CL; Murtola T; Páll S; Abraham MJ; Hess B; Lindahl E
    J Chem Theory Comput; 2015 Dec; 11(12):5737-46. PubMed ID: 26587968
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the proper calculation of electrostatic interactions in solid-supported bilayer systems.
    Yeh IC; Wallqvist A
    J Chem Phys; 2011 Feb; 134(5):055109. PubMed ID: 21303169
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Periodic Boundary Conditions in QM/MM Calculations: Implementation and Tests.
    Vasilevskaya T; Thiel W
    J Chem Theory Comput; 2016 Aug; 12(8):3561-70. PubMed ID: 27420296
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Application of MDGRAPE-3, a special purpose board for molecular dynamics simulations, to periodic biomolecular systems.
    Kikugawa G; Apostolov R; Kamiya N; Taiji M; Himeno R; Nakamura H; Yonezawa Y
    J Comput Chem; 2009 Jan; 30(1):110-8. PubMed ID: 18524021
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.