BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

95 related articles for article (PubMed ID: 26633226)

  • 1. Atomic Charge Calculation of Metallobiomolecules in Terms of the ABEEM Method.
    Yang ZZ; Cui BQ
    J Chem Theory Comput; 2007 Jul; 3(4):1561-8. PubMed ID: 26633226
    [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. 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]  

  • 4. Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method.
    Vareková RS; Koca J
    J Comput Chem; 2006 Feb; 27(3):396-405. PubMed ID: 16381078
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Study of peptide conformation in terms of the ABEEM/MM method.
    Yang ZZ; Zhang Q
    J Comput Chem; 2006 Jan; 27(1):1-10. PubMed ID: 16235260
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules.
    Ouyang Y; Ye F; Liang Y
    Phys Chem Chem Phys; 2009 Aug; 11(29):6082-9. PubMed ID: 19606317
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Study on structures and properties of ammonia clusters (NH3)n (n=1-5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model.
    Yu L; Yang ZZ
    J Chem Phys; 2010 May; 132(17):174109. PubMed ID: 20459158
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. Electronegativity equalization method: parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.
    Jirousková Z; Vareková RS; Vanek J; Koca J
    J Comput Chem; 2009 May; 30(7):1174-8. PubMed ID: 18988249
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Polarizable TIP7P Water Model with Perturbation Charges Evaluated from ABEEM.
    Zhao CL; Zhao DX; Jiang QY; Zhang HX; Li S; Yang ZZ
    J Phys Chem B; 2020 Mar; 124(12):2450-2464. PubMed ID: 32141292
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field.
    Yang ZZ; Wang JJ; Zhao DX
    J Comput Chem; 2014 Sep; 35(23):1690-706. PubMed ID: 25042901
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization method.
    Bultinck P; Langenaeker W; Carbó-Dorca R; Tollenaere JP
    J Chem Inf Comput Sci; 2003; 43(2):422-8. PubMed ID: 12653504
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes.
    Varadwaj PR; Varadwaj A; Marques HM
    J Phys Chem A; 2011 Jun; 115(22):5592-601. PubMed ID: 21568260
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Development of a QM/MM(ABEEM) method for the deprotonation of neutral and cation radicals in the G-tetrad and GGX(8-oxo-G) tetrad.
    Wang Y; Liu L; Gao Y; Zhao J; Liu C; Gong L; Yang Z
    Phys Chem Chem Phys; 2023 Dec; 26(1):504-516. PubMed ID: 38084041
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.