About
Contact & Profiles
A5057742789
Research Areas
- Spectroscopy and Quantum Chemical Studies
- Microbial Inactivation Methods
- Metalloenzymes and iron-sulfur proteins
- Biofield Effects and Biophysics
- Photosynthetic Processes and Mechanisms
- thermodynamics and calorimetric analyses
University of Freiburg
2020-2021
10.1016/j.bpc.2021.106594
article
EN
Biophysical Chemistry
2021-04-20
Abstract We introduce a combination of Monte Carlo simulation and thermodynamic integration methods to address model problem in free energy computations, electron transfer proteins. The feasibility this approach is tested using the ferredoxin protein from Clostridium acidurici . results are compared numerical solutions Poisson‐Boltzmann equation data recent molecular dynamics simulations on charge complex, NrfHA nitrite reductase Desulfovibrio vulgaris Despite conceptual computational...
10.1002/jcc.26155
article
EN
cc-by-nc-nd
Journal of Computational Chemistry
2020-01-25
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