Gerald R. Kneller

Years Active: 2003-2012
Publications (10 Years): 0

RWTH Aachen University, Germany (PHD)

Education History

RWTH Aachen University, Germany

PHD

Publications

Konrad Hinsen, Eric Pellegrini, Slawomir Stachura, Gerald R. Kneller
Moldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations. J. Comput. Chem. 33 (25) (2012)
Gerald R. Kneller
Comment on "Fast determination of the optimal rotational matrix for macromolecular superpositions" [J. Comp. Chem. 31 1561 (2010)]. J. Comput. Chem. 32 (1) (2011)
Gerald R. Kneller
Comment on Using quaternions to calculate RMSD [J. Comp. Chem. 25, 1849 (2004)]. J. Comput. Chem. 26 (15) (2005)
Branislav Brutovsky, Gerald R. Kneller
Linear prediction of force time series to accelerate molecular dynamics simulations. Comput. Phys. Commun. 169 (1-3) (2005)
Tomasz Róg, Krzysztof Murzyn, Konrad Hinsen, Gerald R. Kneller
nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations. J. Comput. Chem. 24 (5) (2003)

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