Homology Modeling and Molecular Docking for the Science Curriculum

Autor/inn/en	McDougal, Owen M.; Cornia, Nic; Sambasivarao, S. V.; Remm, Andrew; Mallory, Chris; Oxford, Julia Thom; Maupin, C. Mark; Andersen, Tim
Titel	Homology Modeling and Molecular Docking for the Science Curriculum
Quelle	In: Biochemistry and Molecular Biology Education, 42 (2014) 2, S. 179-182Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	1470-8175
DOI	10.1002/bmb.20767
Schlagwörter	Forschungsbericht; Science Instruction; Computer Software; Educational Technology; Computer Uses in Education; Molecular Biology; College Science; Undergraduate Study; Scientific Concepts; Science Experiments; Molecular Structure; Science Process Skills; Biochemistry + Suchen Sie Ihr Suchwort? Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Unterrichtsmedien; Computernutzung; Molekularbiologie; Grundstudium; Biochemie
Abstract	DockoMatic 2.0 is a powerful open source software program (downloadable from sourceforge.net) that allows users to utilize a readily accessible computational tool to explore biomolecules and their interactions. This manuscript describes a practical tutorial for use in the undergraduate curriculum that introduces students to macromolecular structure creation, ligand binding calculations, and visualization of docking results. A student procedure is provided that illustrates the use of DockoMatic to create a homology model for the amino propeptide region (223 amino acids with two disulfide bonds) of collagen a1 (XI), followed by molecular docking of the commercial drug Arixtra® to the homology model of a1 (XI), and finally, analysis of the results of the docking experiment. The activities and Supporting Information described are intended to educate students in the use of computational tools to create and investigate homology models for other systems of interest and to train students to perform and analyze molecular docking studies. The tutorial also serves as a foundation for investigators seeking to explore the viability of using computational biochemistry to study their receptor-ligand binding motifs. (As Provided).
Anmerkungen	Wiley-Blackwell. 350 Main Street, Malden, MA 02148. Tel: 800-835-6770; Tel: 781-388-8598; Fax: 781-388-8232; e-mail: cs-journals@wiley.com; Web site: http://www.wiley.com/WileyCDA
Begutachtung	Peer reviewed
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2017/4/10