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Computational approaches to protein dynamics : from quantum to coarse-grained methods
- Title
- Computational approaches to protein dynamics : from quantum to coarse-grained methods / editor, Monika Fuxreiter.
- Format
- E-Book
- Published
- Boca Raton : Taylor & Francis, [2015]
- Description
- 1 online resource.
- URL
- Access for [All Campuses] - (Available on campus and off campus with authorized logon)
- Other contributors
- Fuxreiter, Monika, 1969- editor.
- Uniform series
- Series in computational physics.
- Notes
- Includes bibliographical references and index. Electronic reproduction. Ipswich, MA Available via World Wide Web.
- Contents
-
- 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.
- Subject headings
- Proteins--Conformation.
- Medical subjects
- Protein Conformation. Biophysical Phenomena. Computational Biology--methods. Intrinsically Disordered Proteins--chemistry. Molecular Dynamics Simulation. Proteins--chemistry.
- ISBN
- 9781466561571 (hardcover : alk. paper) 1482297868 (electronic bk.) 9781482297867 (electronic bk.) 1466561572 (hardcover : alk. paper)