Accommodating protein flexibility for structure based drug design Top free sex cams online for tables

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Furthermore, the models correctly identify the bound conformations of some ligands.We used unliganded HIV-1 protease to develop and validate this method.

Different searching algorithms for the prediction of optimal binding poses of ligands, which are the core engines of docking programs, are accounted for.TRAPP thus enables an assessment of the druggability of a disease-related target protein taking its flexibility into account. We apply computational methods to challenging drug discovery problems.For example, in the NMTRyp I New Medicines for Trypanosomal Infections EU project, the goal is to develop new candidate drugs against neglected parasitic diseases such as leishmaniasis.TY - JOURT1 - Incorporating protein flexibility in structure-based drug discovery T2 - Journal of the American Chemical Society AU - Meagher, Kristin L. PY - 2004/10/20Y1 - 2004/10/20N2 - We have developed a receptor-based pharmacophore method which utilizes a collection of protein structures to account for inherent protein flexibility in structure-based drug design.Your access to the NCBI website at gov has been temporarily blocked due to a possible misuse/abuse situation involving your site.