843 resultados para STRUCTURE-BASED DRUG DESIGN


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The structure-based sequence motif of the distant proteins in evolution, protein tyrosine phosphatases (PTP) I and II superfamilies, as an example, has been defined by the structural comparison, structure-based sequence alignment and analyses on substitut

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Decision-making in the façade design process has a significant influence on several aspects of indoor environment, thereby making it a complex and multi-objective optimisation process. There are two principal barriers in the process of indentifying an optimal façade solution. Firstly, most existing indoor environmental evaluation methods do not account for all the indoor environmental quality (IEQ) aspects relevant to façade design. Secondly, the relationship between the physical properties of a particular façade design option and the resulting economic benefits accrued during its service-life is unknown. In this paper, we introduce the bases for establishing relationships between occupant productivity and the combinatorial effects of four key façade-related IEQ aspects, namely, thermal comfort, aural comfort, visual comfort and air quality, on occupant productivity. The proposed framework's potential is tested against seven existing experimental investigations and its applicability is illustrated by a simple façade design example. The proposed approach ultimately aims to provide a quantitative economic measure of alternative façade design options that would be applicable to early design stage. Aspects of the work that require further experimental validation are identified. © 2012 Elsevier Ltd.

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David P. Enot and Ross D. King (2002) The use of Inductive Logic Programming in drug design. Proceedings of the 14th EuroQSAR Symposium (EuroQSAR 2002). Blackwell Publishing, p247-250

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Morgan, H.; Habbal, S. R., An empirical 3D model of the large-scale coronal structure based on the distribution of H? filaments on the solar disk, Astronomy and Astrophysics, Volume 464, Issue 1, March II 2007, pp.357-365