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Maria M. Reif
ORCID
Publication Activity (10 Years)
Years Active: 2014-2017
Publications (10 Years): 2
Top Topics
Force Field
Data Generation
Amino Acid Sequences
Molecular Dynamics
Top Venues
J. Comput. Chem.
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Publications
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Christian Margreitter
,
Maria M. Reif
,
Chris Oostenbrink
Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field.
J. Comput. Chem.
38 (10) (2017)
Maria M. Reif
,
Martin Zacharias
Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules.
J. Comput. Chem.
37 (18) (2016)
Maria M. Reif
,
Chris Oostenbrink
Molecular dynamics simulation of configurational ensembles compatible with experimental FRET efficiency data through a restraint on instantaneous FRET efficiencies.
J. Comput. Chem.
35 (32) (2014)
Maria M. Reif
,
Chris Oostenbrink
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.
J. Comput. Chem.
35 (3) (2014)