Impact of Molecular Hydrophobic Field on Passive Diffusion, P-Glycoprotein Active Efflux, and P-Glycoprotein Modulation of SteroidsImproved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph InvariantsInteraction Energy Analysis of Nonclassical Antifolates with Pneumocystis carinii Dihydrofolate ReductaseInfluence of Humic Acid on 1-Aminopyrene Ecotoxicity During Solar Photolysis ProcessIn Vitro Metabolism of Dibenzo[a,l]pyrene, 2-Chlorodibenzo [a,l]pyrene and 10-Chlorodibenzo[a,l]pyrene

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Impact of Molecular Hydrophobic Field on Passive Diffusion, P-Glycoprotein Active Efflux, and P-Glycoprotein Modulation of Steroids
Passive diffusion is the most common process that drugs undergo when penetrating the bilayer mem
Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph InvariantsWe report the calculation of boiling points for several alkyl alcohols through the use of improved m
Interaction Energy Analysis of Nonclassical Antifolates with Pneumocystis carinii Dihydrofolate ReductaseThe x-ray structure of the Pneumocystis carinii dihydrofolate reductase (DHFR):trimethoprim:NADPH te
Influence of Humic Acid on 1-Aminopyrene Ecotoxicity During Solar Photolysis Process1-Aminopyrene (1-AP), a polycyclic aromatic hydrocarbons (PAH) compound, is a major metabolite durin
In Vitro Metabolism of Dibenzo[a,l]pyrene, 2-Chlorodibenzo [a,l]pyrene and 10-Chlorodibenzo[a,l]pyrene - Effects of Chloro SubstitutionStereoselective metabolism of dibenzo[a,l]pyrene (DB[a,l]P), 2-chlorodibenzo[a,l]pyrene (2-Cl-DB[a,l
Implicit and Explicit Coverage of Multi-reference Effects by Density Functional TheoryMulti-reference effects can be covered by density functional theory (DFT) either implicitly via the
Inhibition of Methionine S-adenosyltransferase of M. smegmatis and M. tuberculosis: Homology Modeling, Docking and De Novo Inhibitor Design
Mycobacterium tuberculosis (Mtb) is a successful pathogen that overcomes the numerous cha
Interactions between Physics and Biodisciplines within the Framework of Molecular SciencesIn order to be able to study interactions within, between, and among biomolecules, it is highly desi
Intramolecular C?H···π Interactions in Metal-Porphyrin ComplexesCambridge Structural Database (CSD) was screened in order to find intramolecular C?H···π interaction
Inhibition of Heme Peroxidase During Phenol Derivatives Oxidation. Possible Molecular Cloaking of the Active CenterAb initio quantum chemical calculations have been applied to the study of the molecular structure of
Influence of Long-Tailed Alcohols on the Solubilisation of Cationic DHAB BilayersThe effects of n-decanol and cetyl alcohol incorporated into cationic di-n-hexadecyldimethylammonium
Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural NetworksOn the basis of the previous models of inductive and steric effects, ‘inductive’ electronegativity a
Identification and molecular modeling of a family 5 endocellulase from Thermus caldophilus GK24, a cellulolytic strain of Thermus thermophilusThe genome of T. caldophilus GK24 was recently sequenced and annotated as 14contigs, equivalent to 2
Internal Test Sets Studies in a Group of AntimalarialsTopological indices have been applied to build QSAR models for a set of 20 an-timalarial cyclic pero
Isolation and Characterization of a Novel Four-Transmembrane Protein PMP22CD Specifically Expressed in the TestisPMP22_Claudin family proteins play important roles in cell tight junction. In thisstudy, we have ide
Interaction of Plant Epicuticular Waxes and Extracellular Esterases of Curvularia eragrostidis during Infection of Digitaria sanguinalis and Festuca arundinacea by the FungusCurvularia eragrostidis, a causal agent of head blight on the weed (Digitariasanguinalis), did not c
Inhibition of Acetylcholinesterase in Different Structures of the Rat Brain Following Soman Intoxication Pretreated with Huperzine AAcetylcholinesterase (AChE) activities in different brain parts were determinedquantitatively in rat
Investigation of Phenolic Components of Hungarian WinesNinety-two wines from the southernmost wine-producing region in Hungary(Villány) were analyzed for t
Inclusion Compounds of Dehydrocholic Acid with SolventsThe host-guest inclusion of various organic solvents within dehydrocholic acid has been studied and
Irradiation Effects on Phenolic Content, Lipid and Protein Oxidation and Scavenger Ability of Soybean SeedsThe effect of medium doses of γ-irradiation (1-10 kGy) on total phenolic andtannin contents, lipid p

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