Overall Introduction and Rationale, with View from Computational Biology
By integrating the experimental information given from the Hybrid/ Integrative methods to determine the structures of large macromolecular machines, the static and dynamic molecular models in the atomic or semi-atomic resolution have been built with the aid of bioinformatics and computer simulations. Here, review of the recent progresses of such computational methods are made with discussion for the future direction.
KeywordsHybrid/integrative methods Computational biology Structural biology X-ray SAXS NMR Cryo-EM
This work was supported by grants from the Database Integration Coordination Program from the National Bioscience Database Center (NBDC) – JST (Japan Science and Technology Agency), the Platform Project for Supporting in Drug Discovery and Life Science Research (Platform for Drug Discovery, Informatics, and Structural Life Science) from AMED, and JSPS KAKENHI [17K07364].
- Lieberman-Aiden E, van Berkum NL, Williams L, Imakaev M, Ragoczy T, Telling A, Amit I, Lajoie BR, Sabo PJ, Dorschner MO, Sandstrom R, Bernstein B, Bender MA, Groudine M, Gnirke A, Stamatoyannopoulos J, Mirny LA, Lander ES, Dekker J (2009) Comprehensive mapping of long-range interactions reveals folding principles of the human genome. Science 326:289–293CrossRefGoogle Scholar
- Sali A, Berman HM, Schwede T, Trewhella J, Kleywegt G, Burley SK, Markley JL, Nakamura H, Adams P, Bonvin AM, Chiu W, Peraro MD, Di Maio F, Ferrin TE, Grünewald K, Gutmanas A, Henderson R, Hummer G, Iwasaki K, Johnson G, Lawson CL, Meiler J, Marti-Renom MA, Montelione GT, Nilges M, Nussinov R, Patwardhan A, Rappsilber J, Read RJ, Saibil H, Schröder GF, Schwieters CD, Seidel CA, Svergun D, Topf M, Ulrich EL, Velankar S, Westbrook JD (2015) Outcome of the first wwPDB hybrid/integrative methods task force workshop. Structure 23:1156–1167CrossRefGoogle Scholar