Configurational and Alchemical Free-Energy Calculations Using Molecular Dynamics Simulations

Download
Full text (PDF, 9.983Mb)
Thumbnail
Open access
Author
Bieler, Noah S.
Date
2015
Type
    Doctoral Thesis
Rights / license
In Copyright - Non-Commercial Use Permitted
Permanent link
https://doi.org/10.3929/ethz-a-010444263
Publication status
published
External links
Search print copy at ETH Library
Contributors
Examiner: Hünenberger, Philippe H.
Examiner: Riniker, Sereina Z.
Examiner: Vacha, Robert
Publisher
ETH Zurich
Subject
FREE ENERGY + THERMODYNAMIC POTENTIAL (THERMODYNAMICS); MOLECULAR DYNAMICS (MOLECULAR PHYSICS); FREIE ENERGIE + THERMODYNAMISCHES POTENTIAL (THERMODYNAMIK); KONFORMATION + KONFIGURATION (STEREOCHEMIE); MOLEKULARE DYNAMIK (MOLEKÜLPHYSIK); CONFORMATION + CONFIGURATION (STEREOCHEMISTRY)
Organisational unit
02515 - Laboratorium für Physikalische Chemie / Laboratory of Physical Chemistry
08820 - Hünenberger, Philippe (Tit.-Prof.)  
02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.
More
Show all metadata
ETH Bibliography
yes
Altmetrics