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Johannes G. E. M. Fraaije

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2021
[j4]
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Panagiotis C. Petris, Paul Becherer, Johannes G. E. M. Fraaije:
Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS. J. Chem. Inf. Model. 61(7): 3453-3462 (2021)
2016
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Johannes G. E. M. Fraaije, Jan van Male, Paul Becherer, Rubèn Serral Gracià:
Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases. J. Chem. Inf. Model. 56(12): 2361-2377 (2016)
2011
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Johannes G. E. M. Fraaije, Rubèn Serral Gracià:
Composite multiscale chemical informatics for formulations: challenges and solutions. J. Cheminformatics 3(S-1): 13 (2011)
1997
[j1]
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Berk Hess, Henk Bekker, Herman J. C. Berendsen, Johannes G. E. M. Fraaije:
LINCS: A linear constraint solver for molecular simulations. J. Comput. Chem. 18(12): 1463-1472 (1997)

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