02588oam 2200577I 450 991081267300332120170822114836.00-429-19468-41-4822-9786-810.1201/b17979 (CKB)2670000000560197(EBL)1684509(SSID)ssj0001416960(PQKBManifestationID)11778137(PQKBTitleCode)TC0001416960(PQKBWorkID)11378060(PQKB)10908163(MiAaPQ)EBC1684509(OCoLC)900343699(CaSebORM)9781466561571(EXLCZ)99267000000056019720180331h20152015 uy 0engur|n|---|||||txtccrComputational approaches to protein dynamics from quantum to coarse-grained methods /edited by Monika Fuxreiter1st editionBoca Raton ;London :CRC Press,[2015]©20151 online resource (458 p.)Series in computational biophysicsDescription based upon print version of record.1-4987-0353-4 1-322-62927-7 1-4665-6157-2 Includes bibliographical references and index.section 1. Introduction -- section 2. Enzymatic catalysis : multiscale QM/MM calculations -- section 3. Protein motions : flexibility analysis -- section 4. Approaches to intrinsically disordered proteins -- section 5. Large-scale dynamics -- section 6. Ensemble methods.<P>This groundbreaking work addresses a crucial paradigm shift in structural molecular biology, illustrating how protein dynamics plays a central role in various functions, including enzymatic catalysis, protein-protein interactions, and the organization of complex assemblies. The book presents modern computational techniques for the characterization of proteins and their dynamic properties. The computational methods specifically address the dynamical aspects of protein functionalities, with special emphasis on the analysis of complex assemblies and intrinsically disordered proteins. </P>Series in computational biophysics.Protein engineeringProtein engineering.572/.633Fuxreiter Monika1969-FlBoTFGFlBoTFGBOOK9910812673003321Computational approaches to protein dynamics4119332UNINA