author = { Fuxreiter, Mónika },

title = { Computational approaches to protein dynamics from quantum to coarse-grained methods },

publisher = {CRC Press, Taylor and Francis Group},

publisher = {},

isbn = {9781466561571},

keywords = { Biotechnology , Genetic engineering , Molecular biology , Proteins Conformation , Protein Conformation , Molecular Dynamics Simulation , Proteins chemistry , Intrinsically Disordered Proteins chemistry , Biophysical Phenomena , Computational Biology methods , Molekularbiologie , Biotechnologie },

year = {[2015]},

abstract = {Literaturangaben},

abstract = {Dynamics : a key to protein function / Mónika Fuxreiter -- Adaptive and accurate force-based QM/MM calculations / Noam Bernstein, Iván Solt, Letif Mones, Csilla Várnai, Steven A. Winfield, and Gábor Csányi -- Conformational and chemical landscapes of enzyme catalysis / Alexandra T.P. Carvalho, Fernanda Duarte, Konstantinos Vavitsas and Shina Caroline Lynn Kamerlin -- Interplay between enzyme function and protein dynamics : a multiscale approach to the study of the NAG kinase family and two class II aldolases / Enrique Marcos, Melchor Sanchez-Martinez, and Ramon Crehuet -- Simplified flexibility analysis of proteins / Yves-Henri Sanejouand -- ABSINTH implicit solvation model and force field paradigm for use in simulations of intrinsically disordered proteins / Anuradha Mittal, Rahul K. Das, Andreas Vitalis, and Rohit V. Pappu -- Intrinsically disordered protein : a thermodynamic perspective / Jing Li, James O. Wrabl, and Vincent J. Hilser -- Long molecular dynamics simulations of intrinsically disordered proteins reveal preformed structural elements for target binding / Elio Cino, Mikko Karttunen, and Wing-Yiu Choy -- Multiscale simulations of large conformational changes of disordered and ordered proteins induced by their partners / Yong Wang, Xiakun Chu, and Jin Wang -- Coarse-grained simulation of intrinsically disordered proteins / David de Sancho, Christopher M. Baker, and Robert B. Best -- Natural and directed evolution of intrinsically disordered proteins / Tali H. Reingewertz and Eric J. Sundberg -- Discrete molecular dynamics : foundations and biomolecular applications / Pedro Sfriso, Agustí Emperador, Josep Lluis Gelpí, and Modesto Orozco -- Use of ensemble methods to describe biomolecular dynamics by small angle x-ray scattering / Giancarlo Tria, Dmitri I. Svergun, and Pau Bernadó -- Bridging experiments and simulations : structure calculations with a dynamical touch / Florian Heinkel, Alexander Cumberworth, and Jörg Gsponer},

booktitle = {Series in computational biophysics},

address = { Boca Raton , },

url = { http://slubdd.de/katalog?TN_libero_mab2 }