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 *

192 related articles for article (PubMed ID: 26224547)

  • 1. Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields.
    Zgarbová M; Rosnik AM; Luque FJ; Curutchet C; Jurečka P
    J Comput Chem; 2015 Sep; 36(25):1874-84. PubMed ID: 26224547
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP; van Gunsteren WF
    J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
    [TBL] [Abstract][Full Text] [Related]  

  • 3. S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.
    Chaudret R; Gresh N; Narth C; Lagardère L; Darden TA; Cisneros GA; Piquemal JP
    J Phys Chem A; 2014 Sep; 118(35):7598-612. PubMed ID: 24878003
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N; Ma J
    J Phys Chem A; 2008 Oct; 112(40):9854-67. PubMed ID: 18788721
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.
    Davis JE; Rahaman O; Patel S
    Biophys J; 2009 Jan; 96(2):385-402. PubMed ID: 19167291
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator model.
    Zhu X; MacKerell AD
    J Comput Chem; 2010 Sep; 31(12):2330-41. PubMed ID: 20575015
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. A polarizable ellipsoidal force field for halogen bonds.
    Du L; Gao J; Bi F; Wang L; Liu C
    J Comput Chem; 2013 Sep; 34(23):2032-40. PubMed ID: 23804187
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA; Brooks CL
    J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Electrostatic polarization is crucial in reproducing Cu(I) interaction energies and hydration.
    Ponomarev SY; Click TH; Kaminski GA
    J Phys Chem B; 2011 Aug; 115(33):10079-85. PubMed ID: 21761909
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Advancement of polarizable force field and its use for molecular modeling and design.
    Xu P; Wang J; Xu Y; Chu H; Liu J; Zhao M; Zhang D; Mao Y; Li B; Ding Y; Li G
    Adv Exp Med Biol; 2015; 827():19-32. PubMed ID: 25387957
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Quantum effects in liquid water from an ab initio-based polarizable force field.
    Paesani F; Iuchi S; Voth GA
    J Chem Phys; 2007 Aug; 127(7):074506. PubMed ID: 17718619
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Polarizable molecular dynamics simulations of aqueous dipeptides.
    Kucukkal TG; Stuart SJ
    J Phys Chem B; 2012 Aug; 116(30):8733-40. PubMed ID: 22747103
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Key role of the polarization anisotropy of water in modeling classical polarizable force fields.
    Piquemal JP; Chelli R; Procacci P; Gresh N
    J Phys Chem A; 2007 Aug; 111(33):8170-6. PubMed ID: 17665882
    [TBL] [Abstract][Full Text] [Related]  

  • 15. CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.
    Jana M; MacKerell AD
    J Phys Chem B; 2015 Jun; 119(25):7846-59. PubMed ID: 26018564
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields.
    Lin FY; MacKerell AD
    J Chem Inf Model; 2019 Jan; 59(1):215-228. PubMed ID: 30418023
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model.
    Zhao S; Cieplak P; Duan Y; Luo R
    J Chem Theory Comput; 2023 Feb; 19(3):924-941. PubMed ID: 36696564
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multi-layer coarse-graining polarization model for treating electrostatic interactions of solvated α-conotoxin peptides.
    Jiang N; Ma J
    J Chem Phys; 2012 Apr; 136(13):134105. PubMed ID: 22482538
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields.
    Nochebuena J; Piquemal JP; Liu S; Cisneros GA
    J Chem Theory Comput; 2023 Nov; 19(21):7715-7730. PubMed ID: 37888874
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effect of polarization on the opsin shift in rhodopsins. 2. Empirical polarization models for proteins.
    Wanko M; Hoffmann M; Frähmcke J; Frauenheim T; Elstner M
    J Phys Chem B; 2008 Sep; 112(37):11468-78. PubMed ID: 18729405
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.