Computational approaches to protein dynamics : from quantum to coarse-grained methods /
edited by Mónika Fuxreiter.
- Boca Raton : CRC P., 2015.
- xxvi, 453 p. : ill., charts, diagrs., graphs.
- (Series in computational biophysics) .
Includes bibliographical references.
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.