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تعداد نتایج: 220199 فیلتر نتایج به سال:
Substrate- and ligand-induced conformational changes were studied in a series of thiol-modified derivatives of rabbit muscle creatine kinase that retained different amounts of enzymic activity. The results indicate that the 'reactive' thiol group of the enzyme is required for the conformational changes associated with formation of a 'transition-state analogue' complex.
The crystal structure of rabbit muscle creatine kinase, solved at 2.35 A resolution by X-ray diffraction methods, clearly identified the active site with bound sulfates surrounded by a constellation of arginine residues. The putative binding site of creatine, which is occupied by a sulfate group in this analysis, has been tentatively identified. The dimeric interface of the enzyme is held toget...
Recent advances in advanced quantum chemistry and quantum chemistry interfaced with model potentials are discussed, with the primary focus on new scalable implementations in the GAMESS electronic structure suite of programs. Applications to solvent effects and surface science are discussed.
In the Postgenom era one of the remaining major challenges is the detailed understanding of protein networks within the living cell. Currently, there is a large gap between the detailed understanding of proteins in vitro and their description in interaction pathway maps in systems biology. In order to contribute to a more detailed understanding of protein interactions a combined approach of x-r...
In this paper we propose a class of efficient Generalized Method-of-Moments (GMM) algorithms for computing parameters of the Plackett-Luce model, where the data consists of full rankings over alternatives. Our technique is based on breaking the full rankings into pairwise comparisons, and then computing parameters that satisfy a set of generalized moment conditions. We identify conditions for t...
Ru(II) "piano-stool" complexes belong to group of biologically active metallocomplexes with promising anticancer activity. In this study, we investigate the reaction mechanism of [(η(6)-benzene)Ru(II)(en)(H(2)O)](2+) (en = ethylenediamine) complex binding to DNA by hybrid QM/MM computational techniques. The reaction when the Ru(II) complex is coordinated on N7-guanine from major groove is explo...
بخش اورژانس یکی از شلوغترین بخشهای یک بیمارستان است و بهبود عملکرد این تأثیر بسیاری در کیفیت ارائه خدمات دارد. اخیراً پژوهشگران بهدلیل تمرکز مهندسی تابآوری مدیریت ناب بر کارایی سیستمها توجه بسیار زیادی به دو دیدگاه کنار یکدیگر داشتهاند. هدف پژوهش، رویکردی یکپارچه برای ارزیابی مبتنی شاخصهای با ارتقای رضایت شغلی کاهش هزینههای درمانی واحد خصوصی است. منظور، ابتدا شناسایی مؤثر، مدل مفهومی مس...
The crystal structure of human muscle creatine kinase has been determined by the molecular-replacement method and refined at 3.5A resolution. The structures of both the monomer and the dimer closely resemble those of the other known structures in the creatine kinase family. Two types of dimers, one with a non-crystallographic twofold symmetry axis and the other with a crystallographic twofold s...
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