[PDF] Top 20 A new model for the H2 antagonists binding site based on 3D QSAR analysis.
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A new model for the H2 antagonists binding site based on 3D QSAR analysis.
... equivalente à uréia e ao anel heterocíclico substituído. Estas propo- sições estão baseadas num modelo de adsorção, no qual dois sítios ativos estão envolvidos e cujas constantes de afinidades apresentam valores ... See full document
8
J. Braz. Chem. Soc. vol.20 número4
... in the case of the highly flexible discodermolide modulators analyzed in this ...Robust 3D QSAR CoMFA models were developed employing two distinct alignment strategies, and the models ... See full document
11
Mutational analysis of the high-affinity zinc binding site validates a refined human dopamine transporter homology model.
... [77]. The finding is therefore not without precedent that the D206A mutation does not affect zinc binding within the error bars of our ...experiment. The mutation of aspartate to ... See full document
14
A field based 3D QSAR model of novel anti-microtubule agent noscapine and its derivatives
... a new class of microtubule binding compounds which show great promise as chemotherapeutic agents for the treatment of human ...investigate the structural determinants of noscapinoids ... See full document
6
Evaluating the influence of selected parameters on sensitivity of a numerical model of solidification
... parameters on sensitivity of a numerical model of solidification. The investigated model is based on the heat conduction equation with a heat source and solved using ... See full document
6
J. Braz. Chem. Soc. vol.27 número10
... in the hydrophilic region, Sudlow’s site II (docking score ...in the hydrophobic binding pocket, Sudlow’s site I (docking score ...41.5). The site II is a largely apolar ... See full document
8
An assessment of contact and laser-based scanning of rock particles for railway ballast
... allows the scanning of objects through the contact of a piezoelectric needle of great ...in the horizontal plane (corresponding to the resolution of the servo-motor driving the ... See full document
12
An integrated in silico approach to design specific inhibitors targeting human poly(a)-specific ribonuclease.
... of the biochemical and structural information on PARN comes from the human ...However, the existence of PARN all along the eukaryotic evolutionary ladder requires further and thorough ... See full document
13
Three-dimensional spectral-domain optical coherence tomography data analysis for glaucoma detection.
... Searching the literature, we were able to find only one publication where glaucoma strctural analysis used the informa- tion from the entire 3D ...cpRNFL analysis, this ... See full document
10
Functional Domains of the Bacillus subtilis Transcription Factor AraR and Identification of Amino Acids Important for Nucleoprotein Complex Assembly and Effector Binding†
... in the DNA-bound and -free forms. In this case, in contrast to the results seen with the N-terminal domain of FadR, the DNA-bound and DNA-free conformations are substantially different, even ... See full document
13
A NEW GEOLOGICAL MODEL BASED ON A SEISMIC-STRATIGRAPHIC ANALYSIS OF THE EASTERN INHAMBÚ OIL FIELD, ONSHORE ESPÍRITO SANTO BASIN, BRAZIL
... in the dip direction (W to E). The interpreted seismic section illustrates the main horizons and depositional sequences identified in this ...study. The basement dips to the east from ... See full document
16
Site effect classification based on microtremor data analysis using concentration–area fractal model
... between the C–A fractal model and Nogoshi classification shows that the thresholds obtained by the both methods are similar (Table ...C–A model, we can identify data minor anomalies and ... See full document
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QSAR/QSAR-3D: estudos de parâmetros estruturais, aspectos metodológicos e aplicação...
... Dentro deste contexto e considerando em especial a determinação dos valores do coeficiente de partição dentro da precisão analítica requerida bem como o entendimento das informações sobr[r] ... See full document
118
A new model development for efficiency analysis of OS-based smurf attacks
... for the systems that apply these services against the cyber attacks becomes a crucial challenging ...minimize, the damage caused by the attacks exposing the security of the ... See full document
11
Margarida Leonor Florindo Espadinha
... in the receptor is well ...[40]. The structure of the receptor can be classified in four distinct domains: amino-terminal domain (ATD), ligand binding domain (LBD), trans-membrane domain (TD) ... See full document
117
Morphometric Discrimination of Females of Five Species of Anopheles of the Subgenus Nyssorhynchus from Southern and Northwest Colombia
... of the subgenus Nyssorhynchus have been performed in Venezuela pro- ducing results that clearly separated different species ...cluster analysis and Euclidian dis- tances (Rubio-Palis et ...clarifying ... See full document
5
An in silico analysis of the glutamate dehydrogenases of Teladorsagia circumcincta and Haemonchus contortus
... be the best (Table 2) because they had the smallest root mean square deviation (RMSD) from 1HWY, and the largest quality measures (Q, P and ...of the TcGDH monomer based on ... See full document
12
Pesqui. Oper. vol.31 número3
... Simulations based on the two models were performed. The first (Model 1) is a simpler version, considering as predictive variables, the home advantage and strength of each team, ... See full document
7
A structure-based model for predicting serum albumin binding.
... structure-based model for HSA binding proved to be ...for the bound ligands. We expected, and the results confirmed, that treating protein flexibility would be critical to obtaining ... See full document
12
A new fuzzy algorithm for ecological ranking
... in the A-subspace have optimal overall performances since φ is high and Ф is ...in the D-subspace are the worst ...space”. The results are fully compatible with most softwares, since they can ... See full document
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