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Nohad Gresh: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Nohad Gresh, Martine Perrée-fauvet
    Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: A molecular mechanics investigation. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1999, v:13, n:2, pp:123-137 [Journal]
  2. Jens Antony, Nohad Gresh, Lars Olsen, Lars Hemmingsen, Christopher J. Schofield, Rogert Bauer
    Binding of D- and L-captopril inhibitors to metallo--lactamase studied by polarizable molecular mechanics and quantum mechanics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:13, pp:1281-1296 [Journal]
  3. Nohad Gresh
    Energetics of Zn2+ Binding to a Series of Biologically Relecant Ligands: A Molecular Mechanics Investigation Grounded on Ab Initio Self-Consistent Field Supermolecular Computations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:7, pp:856-882 [Journal]
  4. Nohad Gresh, David R. Garmer
    Comparative binding energetics of Mg2+, Ca2+, Zn2+, and Cd2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:12, pp:1481-1495 [Journal]
  5. Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub
    Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:823-834 [Journal]
  6. Nohad Gresh, Gen-Bin Shi
    Conformation-dependent intermolecular interaction energies of the triphosphate anion with divalent metal cations. Application to the ATP-binding site of a binuclear bacterial enzyme. A parallel quantum chemical and polarizable molecular mechanics investig [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:2, pp:160-168 [Journal]
  7. Nohad Gresh, Walter J. Stewens, Morris Krauss
    Mono- and Poly- Ligated Complexes of Zn2+: An Ab Initio Analysis of the Metal-Ligand Interaction Energy. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:7, pp:843-855 [Journal]
  8. Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre
    Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:16, pp:1963-1970 [Journal]
  9. Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre
    Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:2, pp:308- [Journal]
  10. Francoise Rogalewicz, Gilles Ohanessian, Nohad Gresh
    Interaction of neutral and zwitterionic glycine with Zn2+ in gas phase: ab initio and SIBFA molecular mechanics calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:11, pp:963-973 [Journal]
  11. Gilles Tiraboschi, Marie-Claude Fournié-Zaluski, Bernard-Pierre Roques, Nohad Gresh
    Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:10, pp:1038-1047 [Journal]
  12. Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield
    Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:12, pp:1011-1039 [Journal]
  13. Gilles Tiraboschi, Bernard-Pierre Roques, Nohad Gresh
    Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonaddit [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:13, pp:1379-1390 [Journal]
  14. Jens Antony, Jean-Philip Piquemal, Nohad Gresh
    Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:11, pp:1131-1147 [Journal]
  15. Nohad Gresh, Jean-Philip Piquemal, Morris Krauss
    Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:11, pp:1113-1130 [Journal]

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