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Binding site prediction

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  • The notion of heme as a regulator of many physiological processes via transient binding to proteins is one that is recently being acknowledged. The broad spectrum of the effects of heme makes it important to identify further heme-regulated proteins to understand physiological and pathological processes.

    pdf7p vicolorado2711 22-10-2020 1 0   Download

  • The CATH database provides a hierarchical classification of protein domain structures including a sub-classification of superfamilies into functional families (FunFams). We analyzed the similarity of binding site annotations in these FunFams and incorporated FunFams into the prediction of protein binding residues.

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  • Detecting similar ligand-binding sites in globally unrelated proteins has a wide range of applications in modern drug discovery, including drug repurposing, the prediction of side effects, and drug-target interactions. Although a number of techniques to compare binding pockets have been developed, this problem still poses significant challenges.

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  • In the study performed by Purushotham et al. (2011) showed that about 28% of total hardness in the study site exceeded the desirable limits at 600 mg L-1. Naturally, the water hardness is due to the presence of alkaline earths such as calcium (Ca) and magnesium (Mg). Excess of magnesium affects the soil quality, which results in poor crops yield. The high concentration of magnesium and calcium can cause decrease in water quality and may cause encrustation in the water supply structure.

    pdf80p lulanphuong 28-03-2012 75 8   Download

  • To get interested consumers to your website, the site needs to be visible to surfers using Google. Why is Google so important? The research firm Hitwise which measures Web audiences, estimates that Google has 72% of the US search engine market, versus 17.9 % for Yahoo. Microsoft’s two search services, MSN and Live.com, constitute a distant third, at a combined 5.4 percent. Many website owners who track where their visitors come from report that Google’s search engine now refers 80 to 90% of their visitors. 2 For optimal results on Google you will want...

    pdf61p dangsuynghi 15-03-2013 34 6   Download

  • Tuyển tập các báo cáo nghiên cứu về y học được đăng trên tạp chí y học quốc tế cung cấp cho các bạn kiến thức về ngành y đề tài: Protein-lipid interactions: correlation of a predictive algorithm for lipid-binding sites with three-dimensional structural data

    pdf14p toshiba17 31-10-2011 34 2   Download

  • DNA-binding sites for SYCRP1, which is a regulatory protein of the cyanobacterium Synechocystissp. PCC6803, were predicted for the whole genome sequence by estimating changes in the binding free energy (DDG A total ) for SYCRP1 for those sites. The DDG A total values were calculated by summingDDGvalues derived from systematic single base-pair substitu-tion experiments (symmetrical and cooperative binding model).

    pdf10p inspiron33 23-03-2013 26 2   Download

  • Protein-Protein Interactions (PPIs) are key for many cellular processes. The characterization of PPI interfaces and the prediction of putative ligand binding sites and hot spot residues are essential to design efficient small-molecule modulators of PPI.

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  • Structural modeling of protein-protein interactions produces a large number of putative configurations of the protein complexes. Identification of the near-native models among them is a serious challenge. Publicly available results of biomedical research may provide constraints on the binding mode, which can be essential for the docking.

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  • Periodontitis is a chronic infection that results from the interaction of periodontopathogenic bacteria and host inflammatory and immune responses and is the most common bacterial infection worldwide. Estimates reveal that 10-15 % of adults have advanced periodontitis, and periodontal disease can contribute to widespread oral health dysfunction and enhanced susceptibility to other systemic diseases (Pussinen et al. 2007).

    pdf84p pt_1669 27-03-2012 318 168   Download

  • We hope that readers will find valuable information and interesting new material in the chapters of it. Since biomass means many things to so many people, it is no wonder that original book title, Remote sensing of biomass has attracted a series of papers, many of them very far from remote sensing topics. If there is an odd number that can not be filed in accordance with the subject at all, the choice will be simple. check quality of the paper and if it is good, the authors suggest that it would be better to works elsewhere....

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  • The scientific literature suggests that the best unit to assess ecosystems is the 'socio-ecological system (SES)' (Gallopin, 1991, Glaser, 2008). SES integrates ecosystem functions and dynamics as well as human activities and the interactions of all these. The SES is equivalent to the SNA's institutional unit. Considering the production of ecosystem services, and in particular provisioning services, SESs are more or less homogenous.

    pdf433p bin_pham 06-02-2013 55 8   Download

  • The writing of second language learners of English often presents problems that are different from those found in the writing of native English speaking students. These include culturally conditioned rhetorical patterns that sound ‘strange’ to the native speaker ear as well as unfamiliar grammatical errors that are simply not found in native speaker writing.

    pdf0p commentcmnr 03-06-2013 54 8   Download

  • This book, which presents- standing work from leading researchers HRI includes a wide spectrum of leading ics, is an attempt to capture and present some of the important contributions of HRI a volume. I hope that this book will bring benefits to both experts and novices and professional Vide an insight into the exciting field of HRI.

    pdf704p lulanphuong 24-03-2012 53 7   Download

  • Although interior design involves creative solutions that can be fairly subjective, a set of quantifiable design criteria has long been accepted in the industry. Specifically, such criteria deter- mine whether the design is functional and suitable for human in- habitants. Panero and Zelnick [1979] conducted a detailed study on human dimensions and ergonomics, by carefully defining met- rics such as height, width, reachable-range, and visibility, which are believed to be conducive to functional and comfortable de- signs.

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  • The estimated worldwide pesticides application is about 4 million tons (Elersek and Filipic, 2011) and according to Instituto Colombiano Agropecuario (ICA) Colombia produce 16.999.216 litters of herbicides, 6.392.387 litters of insecticides, and 19.690.293 kilograms of fungicides (ICA, 2010) during 2010. Approximately 1.8 billion people worldwide are engaged in agriculture and it has been estimated that up to 25 million agriculture laborers have suffered non-intentional intoxications every year (Alavanja, 2008).

    pdf374p conquynho32 18-09-2012 49 6   Download

  • The price premium charged for competitive-market products depends on several factors including the price of standard offer or default service, the availability of incentives to green power marketers or suppliers, and the cost of renewable energy generation available in the regional market. Some marketers have charged prices close to or even below the default market price in recent years (e.g., in Texas); others have offered fixed-price products, providing customers with protection against increasing prices for a specified period of time, usually one year.

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  • Our model identifies new explanations for why large and small firms make different insurance offer decisions; they are based on turnover rates and within-firm and between-firm heterogeneities. Large firms tend to have greater within-firm heterogeneity than small ones, and so they are more likely to have some employees who strongly desire health insurance and less likely to attract only workers who do not find health insurance attractive.

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  • Particularly for rented apartments, key control by apartment management is an important issue. Large jury awards have been made to victims of crimes in apartments because of negligent key control and use of a master key. A resident gives up some rights when they move into a multi-residential property. In most cases, the resident, per written agreement, cannot add or replace the lock on their door unless management is given an extra key. By doing this, the management assumes the responsibility of and legal liability for key control.

    pdf12p connhobinh 07-12-2012 46 5   Download

  • Managing water for all is not only a question of resource availability and money, but also a matter of good governance. Water involves a wide range of stakeholders at basin, municipal, regional, national and international levels. In the absence of effective public governance to manage interdependencies across policy areas and between levels of government, policymakers inevitably face obstacles to effectively designing and implementing water reforms. In addition, good governance and financial sustainability are inextricably linked.

    pdf240p lulaula 25-10-2012 44 4   Download

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