نتایج جستجو برای: binding energy
تعداد نتایج: 1062351 فیلتر نتایج به سال:
Base on the non-relativistic Faddeev AGS method, three-body calculations of the coupled and quasi-bound KKN-πKΣ system are performed in the momentum space. Different phenomenological models of KN-πΣ potentials with one and two-pole structures of KN-πΣ resonance are used to study the dependence of double-kaonic system binding energy on the coupled KN-πΣ interaction. Also, the effect of the KK r...
Zoanthamine-type alkaloids display a wide spectrum of biological effects. This study aimed to examine the inhibitory effects of norzoanthamine and its ten homologues of zoanthamine class on human fibroblast collagenase by modeling a three-dimensional structure of the ligands at collagenase using energy minimization, docking, molecular dynamics simulation and MM-PB/GBSA binding free energy calcu...
because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (da) and arachidonoyl dopamine (aa-da), the necessity of biocompatible carrier to keep them against oxidation is of importance. in this work, we explored the putative binding sites of da and aa-da to -lactoglobulin (blg) as potent carrier. docking results identified the binding si...
objective: druggability of a target protein depends on the interacting micro-environment between the target protein and drugs. therefore, a precise knowledge of the interacting micro-environment between the target protein and drugs is requisite for drug discovery process. to understand such micro-environment, we performed in silico interaction analysis between a human target protein, dipeptidyl...
the antidiuretic effect of arginine vasopressin (avp) is mediated by the vasopressin v2 receptor. the docking study of avp as a ligand to v2 receptor helps in identifying important amino acid residues that might be involved in avp binding for predicting the lowest free energy state of the protein complex. whereas previous researchers were not able to detect the exact site of the ligand-receptor...
In this research, the effect of the uniform electric field on the ground-state of a centered hydrogenic donor impurity in a GaAs/AlAs spherical quantum dot was studied using infinite potential model. In presence of strong electric field, due to the stark effect (perturbing electric field), the ground state energy would increase linearly. In presence of weak electric fields, the normalized bind...
Background: Diabetes mellitus is a group of metabolic disorders that are associated with elevated blood glucose levels due to impaired insulin secretion, insulin function, or both. alpha-glucosidase is a key enzyme in hydrolyzing carbohydrates and raising blood sugar levels. This study aimed to investigate the bioinformatics of inhibition of the alpha-glucosidase enzyme by the main constituent...
thermodynamic studies of the interaction of sodium n-dodecyl, sulphate with calf - thymus wistone h3
the binding of sodium n-dodecyl sulphate (sds) to histone h3 was studied in the ph range 3.2-10 by equilibrium dialysis at 27? and 3 7 ?c .t he binding data have been used to obtain the gibbs free energy of interaction using a theoretical model of the wyman binding potential; and the enthalpy of interaction from the temperature dependence of theequilibriumconstantsfronr thevan't hoff re1at...
The XIAP protein is a member of apoptosis proteins family. The XIAP protein plays a central role in the inhibition of apoptosis and consists of three Baculoviral IAP Repeat domains. The BIR3 domain binds directly to the N-terminal of caspase-9 and therefore it inhibits apoptosis. N-terminal tetrapeptide region of SMAC protein can bind to BIR3, inhibit it and subsequently induce apoptosis. In th...
apotransferrin (apo tf) in 0.1 m n-(2hydroxyethyl)piperazine-n2-ethanesulfanic acid at 25 ˚c and ph 7.4 has been titrated with acidic solution of tb3+. the binding of tb3+ at the two specific metal-binding sites of transferrin was followed from the changes in the difference uv spectra at 245 nm. the molar absorptivity per binding site for tb3+-tf is 22,500 ± 1000 m-1cm-1. to determine the tb...
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