Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly: Volume 170

ISBN-13: 9780128211359 / Angielski / Twarda / 2020 / 300 str.

David B. Teplow

Recenzje

"This book is an excellent resource on computational approaches for understanding protein folding and assembly. Computational researchers, curious experimentalists, students, molecular biologists, and protein chemists will find it quite interesting. There are very few books available that go to such depths to explain computational approaches for understanding dynamical systems such as protein folding and assembly." --Doody

Spis treści

1. Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins Justin Lemkul 2. Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers Adam Liwo 3. Monte Carlo methods in protein folding and assembly Sandipan Mohanty 4. Enhanced sampling and free energy methods Qinghua Liao 5. Markov models of molecular simulations of protein folding, protein-protein interactions, and aggregation Nicolae-viorel Buchete 6. Molecular dynamics simulations with experimental restraints Kresten Lindorff-Larsen 7. Protein folding simulations Ivan Coluzza 8. Thermal stability of proteins Fabio Sterpone 9. Aggregation of short disease-related peptides Philippe Derreumaux 10. Dichotomy between universality and specificity of amyloid ß-protein oligomer formation: Molecular dynamics perspective Brigita Urbanc 11. Computational studies of protein aggregation mediated by amyloid: Fibril elongation and secondary nucleation Wei Han

O autorze

Birgit Strodel studied chemistry at Heinrich Heine University Düsseldorf (Germany) and the University of North Carolina at Chapel Hill (USA) and received her PhD in Theoretical Chemistry from the University of Frankfurt/Main (Germany) in 2005. She then joined the group of Prof. David J. Wales at Cambridge University (UK) as a postdoctoral research associate. Since 2009 she heads the Computational Biochemistry Group at the Jülich Research Centre (Germany) and was appointed Professor at Heinrich Heine University Düsseldorf in 2011. Her research interests primarily involve the thermodynamics and kinetics of protein aggregation. Bogdan Barz has graduated in 2002 from Babe?-Bolyai University of Cluj-Napoca, Romania. During his Masters in Applied Mathematics and Astronomy at Babe?-Bolyai University between 2002-2004 he also worked as a researcher at the National Institute for Research and Development of Isotopic and Molecular Technologies of Cluj-Napoca. In 2009 he received his PhD from the Physics and Astronomy Department at the University of Missouri in Columbia, MO, USA, followed by a postdoctoral period at the Physics Department at Drexel University, Philadelphia, USA. In 2012 he joined the Institute of Complex Systems at Forschungszentrum Jülich (Research Centre Jülich), Germany as a postdoctoral fellow. In 2018 he became an independent group leader at the Institute of Physical Biology, Heinrich Heine University Düsseldorf, Germany.Bogdan Barz has graduated in 2002 from Babe?-Bolyai University of Cluj-Napoca, Romania. During his Masters in Applied Mathematics and Astronomy at Babe?-Bolyai University between 2002-2004 he also worked as a researcher at the National Institute for Research and Development of Isotopic and Molecular Technologies of Cluj-Napoca. In 2009 he received his PhD from the Physics and Astronomy Department at the University of Missouri in Columbia, MO, USA, followed by a postdoctoral period at the Physics Department at Drexel University, Philadelphia, USA. In 2012 he joined the Institute of Complex Systems at Forschungszentrum Jülich (Research Centre Jülich), Germany as a postdoctoral fellow. In 2018 he became an independent group leader at the Institute of Physical Biology, Heinrich Heine University Düsseldorf, Germany.