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Martin Dracínský
ORCID
Publication Activity (10 Years)
Years Active: 2012-2014
Publications (10 Years): 0
Top Topics
Force Field
Molecular Dynamics
Variable Selection
Chemical Compounds
Top Venues
J. Comput. Chem.
J. Cheminformatics
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Publications
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Thomas E. Exner
,
Andrea Frank
,
Heiko M. Möller
,
Martin Dracínský
Can quantum-chemical NMR chemical shifts be used as criterion for force-field development.
J. Cheminformatics
6 (S-1) (2014)
Jirí Kessler
,
Martin Dracínský
,
Petr Bour
Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties.
J. Comput. Chem.
34 (5) (2013)
Martin Dracínský
,
Petr Bour
Vibrational averaging of the chemical shift in crystalline α-glycine.
J. Comput. Chem.
33 (10) (2012)