Journal of molecular graphics & modelling, 28(7), 612-625 (2010-01-20)
The highly potent and kappa-opioid (KOP) receptor-selective hallucinogen Salvinorin A and selected analogs have been analyzed using the 3D quantitative structure-affinity relationship technique Comparative Molecular Field Analysis (CoMFA) in an effort to derive a statistically significant and predictive model of
Pest management science, 69(1), 104-111 (2012-08-07)
Pesticides are developed with carriers to improve their physicochemical properties and, accordingly, the bioefficacy of the applied formulation. For foliar-applied herbicide, generally less than 0.1% of the active ingredient reaching the target site could reduce pesticide performance. Recently, a carrier
Journal of chromatography. A, 1229, 237-248 (2012-02-07)
A thorough evaluation of 5 μm bare silica from two major vendors for achiral supercritical fluid chromatography of polar analytes has been carried out. Columns were the same dimension, and a virgin column was reserved for each modifier-mixture combination. Three
Chemical research in toxicology, 19(2), 334-339 (2006-02-21)
Aging of phosphylated serine esterases, e.g., acetylcholinesterase (AChE) and neuropathy target esterase (NTE), renders the inhibited enzymes refractory to reactivation. This process has been considered to require postinhibitory side group loss from the organophosphorus moiety. Recently, however, it has been
Chemical biology & drug design, 71(4), 352-362 (2008-03-04)
The aim of this study is to provide an initial indication regarding the scope and limitations of some state-of-the-art methods in computational chemistry, including semiempirical (AM1) and density functional theory (B3LYP), in the flip regression procedure applied to the inhibition
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