文献类型： 会议论文
第一作者： Loreto M. Valenzuela
作者： Loreto M. Valenzuela 1 ; Anna Gubskaya; Joachim Kohn; Doyle Knight; Society for Biomaterials;;
作者机构： 1.New Jersey Center for Biomaterials, Rutgers, The State University of New Jersey, New Brunswick, NJ 08854-8087
会议名称： Society for Biomaterials Transaction of the 31st Annual Meeting vol.XXIX pt.2
主办单位：
页码： 458-
摘要： To our knowledge this is the first time a Molecular Dynamics-based conformational study was carried out for a library consisting of 45 structurally related polymeric biomaterials. The computational protocol described above allowed us to build and minimize 3D molecular structures of polyarylates, carry out MD simulations, and obtain low energy conformations. These results provided us with the necessary input for the computational prediction of fibrinogen adsorption for the entire library of polyarylates. We anticipate that the use of descriptors obtained from the relaxed 3D polymer structures will improve the accuracy of the predictions of our model of protein adsorption on polymer surfaces.
分类号： R318.08
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