Johannes G. E. M. Fraaije

Publication Activity (10 Years)

Years Active: 1997-2021
Publications (10 Years): 2

Top Topics

Classification Accuracy

Top Venues

J. Chem. Inf. Model.

Publications

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) (2021)
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) (2016)
Johannes G. E. M. Fraaije, Rubèn Serral Gracià
Composite multiscale chemical informatics for formulations: challenges and solutions. J. Cheminformatics 3 (S-1) (2011)
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) (1997)