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Hannes H. Loeffler

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Journal Articles

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2015
[j6]
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  - journals/jcisd/LoefflerMW15
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Hannes H. Loeffler, Julien Michel, Christopher J. Woods:
FESetup: Automating Setup for Alchemical Free Energy Simulations. J. Chem. Inf. Model. 55(12): 2485-2490 (2015)
2006
[j5]
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Hannes H. Loeffler, Ahmed M. Mohammed, Yasuhiro Inada, Shigenobu Funahashi:
Water exchange dynamics of manganese(II), cobalt(II), and nickel(II) ions in aqueous solution. J. Comput. Chem. 27(16): 1944-1949 (2006)
2003
[j4]
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Hannes H. Loeffler:
Many-body effects on structure and dynamics of aqueous ionic solutions. J. Comput. Chem. 24(10): 1232-1239 (2003)
[j3]
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Markus J. Loferer, Hannes H. Loeffler, Klaus R. Liedl:
A QM-MM interface between CHARMM and TURBOMOLE: Implementation and application to systems in bulk phase and biologically active systems. J. Comput. Chem. 24(10): 1240-1249 (2003)
[j2]
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Hannes H. Loeffler, Bernd M. Rode:
Many-body effects on structure and dynamics of aqueous ionic solutions- Erratum. J. Comput. Chem. 24(13): 1688 (2003)
2001
[j1]
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  - journals/jcc/LoefflerSWLR01
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Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode:
Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine. J. Comput. Chem. 22(8): 846-860 (2001)

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