Interaction between artemisinin and heme. A Density Functional Theory study of structures and interaction energies

[http://www.sciencedirect.com/science?_ob=articleurl&_udi=b6tf8-4s2mhvd-2&_user=686357&_rdoc=1&_fmt=&_orig=search&_sort=d&view=c&_acct=c000037518&_version=1&_urlversion=0&_userid=686357&md5=0d7c8e2c94f9df8376c80da4bb715516][doi:10.1016/j.bmc.2008.03.033]

Idioma:

Inglês

Buscar essa publicação no Google Acadêmico

Publicações com a mesma autoria

The structure of dichlorotris(triphenylphosphine)ruthenium(II): a DFT study of interaction energies and substitution mechanism

MP2 versus density functional theory calculations in CO 2 -sequestration reactions with anions: Basis set extrapolation and solvent effects

2H-1,2,3-Triazole-chalcones as novel cytotoxic agents against prostate cancer

Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy

Acid-Catalyzed Z-E Isomerization of γ-Alkylidenebutenolides: An Experimental and DFT Study

Combined theoretical and experimental studies on CO2 capture by amine-activated glycerol

Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4?-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester

DFT analysis of the interaction between Hg2+ and monodentate neutral ligands using NBO, EDA, and QTAIM

Hetero-Diels-Alder Reactions of Quinone Methides: The Origin of the α-Regioselectivity of 3-Methylene-1,2,4-naphthotriones

Synthesis and Evaluation of Corrosion Inhibiting Activity of New Molecular Hybrids Containing the Morpholine, 1,4-Naphthoquinone, 7-Chloroquinoline and 1,3,5-Triazine Cores