Home > Archives > Goran Neshich   Goran Neshich Centro de BioInformatica Estrutural Embrapa Informatica Agropecuaria, Campinas, Sao Paulo, Brasil http://www.cbi.cnptia.embrapa.br/%7Eneshich/cv1.html Recognition at macromolecular interfaces: Protein Dossier and Protein Fingerprints produce Surface Signatures, a simple and powerful technique for coding and comparing compound and receptor shape information. Macromolecular interfaces are important because they represent the interacting part of molecules and they have been shown to exhibit surface comlementarity (geometric and physico-chemical). Our package of algorithms: STING Millennium Suite (SMS), is designed to produce general and specific structure and function descriptors, necessary for better understanding of interactions which occure at macromolecular interfaces. Protein Dossier is one of the modules of SMS which gives intuitive and simple presentation for number of physical observables easily calculated from given structure. The SMS Protein Fingerprint module generates contour maps of the ligands and receptors calculated from their radius spherical harmonic expansion functions. The Protein Dossier in combination with Protein Fingerprints module allows us to be able to do massive virtual screening of potential drugs against identified potential targets on protein surfaces." For futher details of related research projects: http://www.cbi.cnptia.embrapa.br/%7Eneshich/cv1.html
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