Accurate protein function prediction is an important subject in bioinformatics, especially wheresequentially and structurally similar proteins have different functions. Malate dehydrogenaseand L-lactate dehydrogenase are two evolutionary related enzymes, which exist in a widevariety of organisms. These enzymes are sequentially and structurally similar and sharecommon active site residues, spati...

In this paper, the structural properties of C20 and C12B8 fullerene interacting with glycine based onthree active sites of glycine and one C atom or one B atom in C12B8 were analyzed through thedensity functional theory. It was found out that the binding of glycine to C12B8 generated a complex.Our results were extremely relevant in order to identify the potential applications of functionalizedC...

materials and methods one hundred ssis specimens were obtained by needle aspiration from purulent material in depth of infected site. these specimens were cultured and incubated in both aerobic and anaerobic condition. for detection of antibiotic susceptibility pattern in aerobic and anaerobic bacteria, we used disk diffusion, agar dilution, and e-test methods. results a total of 194 bacterial ...

KAl(SO4)2.12H2O is found to efficiently and heterogeneously catalyze the one-pot three-component reaction of 2-(nitromethylene)imidazolidine, malononitrile and aldehydes under mild conditions to afford the corresponding tetrahydroimidazo[1,2-a]pyridine in good yields and short reaction times. Docking  study  of  some  compounds  in  the  active  site  of  α-glucosidase demonstrated  that  these...

In many applications it will be useful to know those patterns that occur with a balanced interval, e.g., a certain combination of phone numbers are called almost every Friday or a group of products are sold a lot on Tuesday and Thursday. In previous work we proposed a new measure of support (the number of occurrences of a pattern in a dataset), where we count the number of times a pattern occur...

a two-dimensional single particle finite element model was used to examine the effects of particle fragmental pattern on the average molecular weights, polymerization rate and particle overheating in heterogeneous ziegler-natta olefin polymerization. a two-site catalyst kinetic mechanism was employed together with a dynamic two-dimensional molecular species in diffusion-reaction equation. the i...

Human immunodeficiency virus type 1 (HIV-1) protease inhibitors comprise an important class of drugs used in HIV treatments. However, mutations of protease genes accelerated by low fidelity of reverse transcriptase yield drug resistant mutants of reduced affinities for the inhibitors. This problem is considered to be a serious barrier against HIV treatment for the foreseeable future. In this st...

A two-dimensional single particle finite element model was used to examine the effects of particle fragmental pattern on the average molecular weights, polymerization rate and particle overheating in heterogeneous Ziegler-Natta olefin polymerization. A two-site catalyst kinetic mechanism was employed together with a dynamic two-dimensional molecular species in diffusion-reaction equation. The i...

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