نتایج جستجو برای: docking strategy
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p53, as a transcription factor, plays an eminent role in tumor suppression. Y220C, a substitution mutation, which cause major structural changes in the protein, is evidenced to form a new protein cavity. This cavity is reckoned to accommodate small drug candidates, which may play a key role in cancer suppression. In the present, study we have tried to determine a drug candidate based on structu...
The experimental determination of the structure of protein complexes cannot keep pace with the generation of interactomic data, hence resulting in an ever-expanding gap. As the structural details of protein complexes are central to a full understanding of the function and dynamics of the cell machinery, alternative strategies are needed to circumvent the bottleneck in structure determination. C...
The structural modeling of protein-protein interactions is key in understanding how cell machineries cross-talk with each other. Molecular docking simulations provide efficient means to explore how two unbound protein structures interact. InterEvDock is a server for protein docking based on a free rigid-body docking strategy. A systematic rigid-body docking search is performed using the FRODOCK...
this study aimed to investigate the effects of listening strategy training on iranian efl learners listening comprehension and use of such strategies. this work, employing an experimental methodology, was conducted among 60 adult efl learners from a language institute in isfahan, iran, as participants. the participants, who were selected based on the results of a placement test, were assigned t...
this study investigated (a) the learners’ existing reading strategy repertoire, (b) the effect of instruction in reading strategies on learners’ strategic performance, and (c) the effect of explicit instruction in top-down reading strategies on reading comprehension ability of intermediate learners. the study was conducted with 40 intermediate efl learners in two groups of experimental and cont...
In cross docking strategy, arrived products are immediately classified, sorted and organized with respect to their destination. Among all the problems related to this strategy, the vehicle routing problem (VRP) is very important and of special attention in modern technology. This paper addresses the particular type of VRP, called VRPCDTW, considering a time limitation for each customer/retai...
در این مطالعه ارتباط کمی بین ساختار و اندیس بازداری و انرژی اتصال ترکیبات به ستون bpx50 بوسیله مکانیک کوانتوم و مولکولار داکینگ و روش های آماری بررسی شد. ساختار های فلاونوئید و کالکون ها توسط نرم افزار hyperchem بهینه شدند و سپس توصیف کننده های مولکولی توسط نرم افزار dragon محاسبه گردیدند. توصیف کننده های مولکولی در نرم افزار spss گنجانده شده و در ادامه معادله بین ri و توصیف کننده های مولکولی ب...
As important members of nuclear receptor superfamily, Peroxisome proliferator-activated receptors (PPAR) play essential roles in regulating cellular differentiation, development, metabolism, and tumorigenesis of higher organisms. The PPAR receptors have 3 identified subtypes: PPARα, PPARβ and PPARγ, all of which have been treated as attractive targets for developing drugs to treat type 2 diabet...
Ligand docking is a widely used tool for lead discovery and binding mode prediction based drug discovery. The greatest challenges in docking occur when the receptor significantly reorganizes upon small molecule binding, thereby requiring an induced fit docking (IFD) approach in which the receptor is allowed to move in order to bind to the ligand optimally. IFD methods have had some success but ...
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