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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

340 related items for PubMed ID: 30629432

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  • 2. Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery.
    Heidrich J, Exner TE, Boeckler FM.
    J Chem Inf Model; 2019 Feb 25; 59(2):636-643. PubMed ID: 30582814
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  • 3. Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist?
    Varadwaj PR.
    Int J Mol Sci; 2024 Apr 23; 25(9):. PubMed ID: 38731806
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  • 5. The competition of Y⋯O and X⋯N halogen bonds to enhance the group V σ-hole interaction in the NCY⋯O=PH3 ⋯NCX and O=PH3 ⋯NCX⋯NCY (X, Y=F, Cl, and Br) complexes.
    Li W, Zeng Y, Li X, Sun Z, Meng L.
    J Comput Chem; 2015 Jul 05; 36(18):1349-58. PubMed ID: 25916886
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  • 7. Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.
    Soteras Gutiérrez I, Lin FY, Vanommeslaeghe K, Lemkul JA, Armacost KA, Brooks CL, MacKerell AD.
    Bioorg Med Chem; 2016 Oct 15; 24(20):4812-4825. PubMed ID: 27353885
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  • 11. Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine.
    Riley KE, Murray JS, Fanfrlík J, Rezáč J, Solá RJ, Concha MC, Ramos FM, Politzer P.
    J Mol Model; 2011 Dec 15; 17(12):3309-18. PubMed ID: 21369930
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  • 12. Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005.
    Clark T, Hennemann M, Murray JS, Politzer P.
    J Mol Model; 2007 Feb 15; 13(2):291-6. PubMed ID: 16927107
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  • 14. Phosphine Oxides as Spectroscopic Halogen Bond Descriptors: IR and NMR Correlations with Interatomic Distances and Complexation Energy.
    Ostras' AS, Ivanov DM, Novikov AS, Tolstoy PM.
    Molecules; 2020 Mar 19; 25(6):. PubMed ID: 32204523
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  • 20. Double Hole-Lump Interaction between Halogen Atoms.
    Duarte DJ, Peruchena NM, Alkorta I.
    J Phys Chem A; 2015 Apr 23; 119(16):3746-52. PubMed ID: 25826009
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