Résultat(s) 1 - 9 résultats de 9 pour la requête 'Yang, Zhong-Zhi', Temps de recherche: 0,15s Affiner les résultats
  1. 1
    Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine
    par Liu, Cui
    Publié dans: Journal of computational chemistry (2022)
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  2. 2
    Reaction mechanism of NO with hydrolysates of NAMI-A an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method
    par Li, Hui
    Publié dans: Journal of computational chemistry (2019)
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  3. 3
    Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field
    Article en ligne

  4. 4
    Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagram
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  5. 5
    Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system
    par Liu, Cui
    Publié dans: Journal of computational chemistry (2012)
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  6. 6
    An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE method
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  7. 7
    Investigation of the molecular surface area and volume Defined and calculated by the molecular face theory
    Autres auteurs: “...Yang, Zhong-Zhi...”

    Article en ligne

  8. 8
    Study of peptide conformation in terms of the ABEEM/MM method
    Article

  9. 9
    Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules
    Article

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