homology model
In-Silico Docking of Neuroactive Flavones on Benzodiazepine Binding Site of GABA-A Receptor Homology Model
... investigated in a homology model generated in an automated mode. The binding pocket was predicted with Fuzzy oil drop mathematical model. The ligands were docked using PM3 force field method and ...
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Homology Model of Leishmania Donovani Udp Galactopyranose Mutase Binds Antifungal Compounds in Silico
... To observe whether the proposed homology model of L. donovani UGM interacts with ligand other than substrate and activator, two antifungal compounds (table 1), was selected for docking study. Docking was ...
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Construction and validation of a homology model of the human voltage-gated proton channel hH 1
... The validity of using a biphasic membrane mimetic (or simple n-octane slab) for the purpose of estimating the stability of membrane proteins in general, and of VSDs in particular, is demonstrated by the results ob- ...
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Blastomyces dermatitidis: Chitinase Homology Model, in Silico Docking, and Inhibition Assay
... Figure 1. (a) Aligned structure of A. fumigatus CHIA1 with B. dermatitidis chitinase. Identical amino acids in blue, amino acids that are similar in white, and amino acids that are different are shown in pink to red ...
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Protein structure prediction and modelling
... Homology modelling was carried out using DRAGON (Aszodi and Taylor, 1996). The similarity between the unknown target structure and the scaffold proteins with known structures was described by mapping secondary ...
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A NEW TARGET FOR DIABETES: HOMOLOGY MODELING AND IDENTIFICATION OF POTENTIAL LEADS THROUGH VIRTUAL SCREENING
... Therefore, Homology modeling is adopted to generate the model using SWISS-MODEL and validated using ...first Homology model developed for the MCT11 ...
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Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneal synthase - a potential target to reduce Fusarium head blight disease
... for homology modeling. This step is crucial as the quality of any homology model depends strongly on the per- centage of similarity, identity and sequence ...crease model quality over a single ...
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Determination and validation of mTOR kinase-domain 3D structure by homology modeling
... of homology modeling to determine the catalytic site of the kinase ...template. Homology model- ing was performed using the crystallographic structure of PI3K γ (PDB ID: 3L13) which is closely ...
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The 2.3-Angstrom Structure of Porcine Circovirus 2
... PCV2 homology model using the AL2CO server ...PCV2 homology model were visualized, and the residues in each epitope responsible for MAb binding were identified in accor- dance with the ...
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Computational modelling of the binding of arachidonic acid to the human monooxygenase CYP2J2
... a homology model of CYP2J2, despite the fact that it has comparable sequence identity and higher resolution among most structures used so far to build ...A model based on this structure would have a ...
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Intragenic Suppression of Gal3C Interaction With Gal80 in the Saccharomyces cerevisiae GAL Gene Switch
... Gal3 homology model was based on the structure of ScGal1 (T hoden et ...The homology model was obtained using the threading path as implemented in Prime ...The model was rendered using ...
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Molecular dynamics simulations of the interaction of wild type and mutant human CYP2J2 with polyunsaturated fatty acids
... The homology model [7] is based on the UniProt [21] protein sequence with UID ...A model of the sequence with the N-terminal transmembrane domain (residues 1–43) trimmed was built using MODELLER ...
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The Meisenheimer complex as a paradigm in drug discovery : reversible covalent inhibition through C67 of the ATP binding site of PLK1
... PLK1 homology model using the Affinity program within InsightII implementing a molecular dynamics docking ...solvation model and geometric H-bond ...
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Molecular dynamics simulations of the interaction of wild type and mutant human CYP2J2 with polyunsaturated fatty acids
... Structure models of mutants of CYP2J2 were produced using the homology model of the wild type enzyme as the starting point and changing residues 111, 117, 382 and 446 from arginine to alanine. The ...
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Beta carbonic anhydrases: novel targets for pesticides and anti parasitic agents in agriculture and livestock husbandry
... shown). Homology modelling was per- formed according to multiple sequence alignment contain- ing FC551456 (Ancylostoma caninum), F1LE18 (Ascaris suum), E5SH53 (Trichinella spiralis), and PDB 1EKJ by using the ...
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Homology Modeling of Nitrogenase Iron Protein of Nitrogen Fixing Actinomycete Arthrobacter sp
... (http://nihserver.mbi.ucla.edu/SAVS/) was used to carry out the verifications of the model with PROVE and ERRAT. The overall qualities of the modeled structures were evaluated using ERRAT [22]. RMS and Z score ...
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Crystal structures of the extracellular domain from PepT1 and PepT2 provide novel insights into mammalian pPeptide transport
... the homology models to generate a number of different combinations of chimeric and mutant human PepT1 and PepT2 transporters that had their ECD domains removed (PepT1 DECD , PepT2 DECD ) or swapped (PepT1 ECD2 , ...
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The role of SH3BP2 in the pathophysiology of cherubism
... Cherubism is a rare bone dysplasia that is characterized by symmetrical bone resorption limited to the jaws. Bone lesions are filled with soft fibrous giant cell-rich tissue that can expand and cause severe facial ...
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Models and string topology
... Hochschild homology and cohomology of an algebra A and dis- cuss some basic facts in these theories - the product and the Connes or B -operator in Hochschild homology and the Gerstenhaber algebra structure ...
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A Fission Yeast Repression Element Cooperates With Centromere-like Sequences and Defines a mat Silent Domain Boundary
... the homology is likely to affect silencing ...dgII homology has no detectable si- lencing-promoting ...dhII homology is higher than that of the ...cen2 homology is sufficient to promote ...
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