Computational approaches to protein dynamics : from quantum to coarse-grained methods / edited by Mónika Fuxreiter.
- 1st edition
- Boca Raton ; London : CRC Press, 
- Series in computational biophysics.
Series in computational biophysics
1 online resource (458 p.)
- Protein engineering.
- Electronic books.
- System Details:
- text file
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.
- 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.
- Description based upon print version of record.
Includes bibliographical references and index.
Description based on print version record.
- Fuxreiter, Monika, 1969- editor.
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