Computational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods, 1st Edition (e-Book) book cover

Computational Approaches to Protein Dynamics

From Quantum to Coarse-Grained Methods, 1st Edition

Edited by Monika Fuxreiter

CRC Press

479 pages

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The Latest Developments on the Role of Dynamics in Protein FunctionsComputational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, an

Table of Contents

Introduction. Enzymatic Catalysis: Multiscale QM/MM Calculations. Protein Motions: Flexibility Analysis. Approaches to Intrinsically Disordered Proteins. Large-Scale Dynamics. Ensemble Methods. Index.

About the Editor

Monika Fuxreiter is head of the Laboratory of Protein Dynamics in the Department of Biochemistry and Molecular Biology at the University of Debrecen. She received her MSc and PhD from the Eotvos Lorand University of Sciences, and was a postdoctoral fellow at the University of Southern California under Arieh Warshel. Dr. Fuxreiter has 20 years of experience working on state-of-the-art approaches for biological systems, including partner recognition mechanisms of IDPs and unique regulatory mechanisms of fuzzy complexes and relationships to context-dependence.

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Life Sciences / Biology / General
SCIENCE / Chemistry / Physical & Theoretical
SCIENCE / Physics