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 *

101 related articles for article (PubMed ID: 33231445)

  • 1. Dividing the Periodic Box into Subdivisions with Their Surroundings to Accelerate Molecular Dynamics Simulation with High Accuracy.
    Liu C; Zhao J; Yang ZZ; Zhao DX
    J Chem Theory Comput; 2020 Dec; 16(12):7618-7631. PubMed ID: 33231445
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters.
    Yang ZZ; Wu Y; Zhao DX
    J Chem Phys; 2004 Feb; 120(6):2541-57. PubMed ID: 15268398
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Energetics and
    Zhang C; Zhao DX; Feng Y; Wang J; Yang ZZ
    Phys Chem Chem Phys; 2022 Feb; 24(7):4232-4250. PubMed ID: 35133357
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
    Yang ZZ; Li X
    J Phys Chem A; 2005 Apr; 109(16):3517-20. PubMed ID: 16839014
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations.
    Monari A; Rivail JL; Assfeld X
    Acc Chem Res; 2013 Feb; 46(2):596-603. PubMed ID: 23249409
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Hydration of Li+ -ion in atom-bond electronegativity equalization method-7P water: a molecular dynamics simulation study.
    Li X; Yang ZZ
    J Chem Phys; 2005 Feb; 122(8):84514. PubMed ID: 15836070
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Refined models of coordination between Al
    Lu LN; Liu C; Yang ZZ; Zhao DX
    J Mol Graph Model; 2022 Jul; 114():108190. PubMed ID: 35468452
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: how well is the X-ray structure "maintained"?
    Fox T; Kollman PA
    Proteins; 1996 Jul; 25(3):315-34. PubMed ID: 8844867
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Effect of periodic box size on aqueous molecular dynamics simulation of a DNA dodecamer with particle-mesh Ewald method.
    de Souza ON; Ornstein RL
    Biophys J; 1997 Jun; 72(6):2395-7. PubMed ID: 9168016
    [TBL] [Abstract][Full Text] [Related]  

  • 11. ABEEM/MM OH
    Shi H; Gong LD; Liu C; Lu LN; Yang ZZ
    J Phys Chem A; 2020 Jul; 124(28):5963-5978. PubMed ID: 32520555
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Yang ZZ; Qian P
    J Chem Phys; 2006 Aug; 125(6):64311. PubMed ID: 16942290
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
    Hassan SA; Mehler EL; Zhang D; Weinstein H
    Proteins; 2003 Apr; 51(1):109-25. PubMed ID: 12596268
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Study of lithium cation in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Li X; Yang ZZ
    J Phys Chem A; 2005 May; 109(18):4102-11. PubMed ID: 16833733
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane.
    Das A; Ali SM
    J Chem Phys; 2018 Feb; 148(7):074502. PubMed ID: 29471660
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An n log n Generalized Born Approximation.
    Anandakrishnan R; Daga M; Onufriev AV
    J Chem Theory Comput; 2011 Mar; 7(3):544-59. PubMed ID: 26596289
    [TBL] [Abstract][Full Text] [Related]  

  • 17. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S; Mackerell AD; Brooks CL
    J Comput Chem; 2004 Sep; 25(12):1504-14. PubMed ID: 15224394
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of hardware accelerator for molecular dynamics simulations: a computation board that calculates nonbonded interactions in cooperation with fast multipole method.
    Amisaki T; Toyoda S; Miyagawa H; Kitamura K
    J Comput Chem; 2003 Apr; 24(5):582-92. PubMed ID: 12632472
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations.
    Pattnaik P; Raghunathan S; Kalluri T; Bhimalapuram P; Jawahar CV; Priyakumar UD
    J Phys Chem A; 2020 Aug; 124(34):6954-6967. PubMed ID: 32786995
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom.
    Zhao DX; Liu C; Wang FF; Yu CY; Gong LD; Liu SB; Yang ZZ
    J Chem Theory Comput; 2010 Mar; 6(3):795-804. PubMed ID: 26613307
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.