Chapter: QM/MM Methods for Biological Systems

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Home > Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations > QM/MM Methods for Biological Systems

Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations |

Springer Berlin Heidelberg

Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations

QM/MM Methods for Biological Systems

Chapter Info

Authors

Hans Martin Senn; Walter Thiel

ARI Id

1664497080209_1935413

Access

Not Available Free

Pages

173-290

DOI

10.1007/128_2006_084

Chapter URL

https://rd.springer.com/chapter/10.1007/128_2006_084

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Chapters/Headings	Author(s)	Pages	Info
Front Matter		I-XII
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example	Luca Bertini; Maurizio Bruschi; Luca de Gioia; Piercarlo Fantucci; Claudio Greco; Giuseppe Zampella	1-46
Theoretical Bioinorganic Spectroscopy	Sebastian Sinnecker; Frank Neese	47-83
First-Principles Approach to Vibrational Spectroscopy of Biomolecules	Carmen Herrmann; Markus Reiher	85-132
Car–Parrinello Molecular Dynamics Simulations and Biological Systems	Jens Thar; Werner Reckien; Barbara Kirchner	133-171
QM/MM Methods for Biological Systems	Hans Martin Senn; Walter Thiel	173-290
Transition Path Sampling Simulations of Biological Systems	Christoph Dellago; Peter G. Bolhuis	291-317
PcrA Helicase, a Molecular Motor Studied from the Electronic to the Functional Level	Markus Dittrich; Jin Yu; Klaus Schulten	319-347
Back Matter		349-361
Chapters/Headings	Author(s)	Pages	Info

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