Johannes G. E. M. Fraaije

According to our database, Johannes G. E. M. Fraaije authored at least 4 papers between 1997 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS.

Panagiotis C. Petris, Paul Becherer, Johannes G. E. M. Fraaije

J. Chem. Inf. Model., 2021

2016

Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases.

Johannes G. E. M. Fraaije, Jan van Male, Paul Becherer, Rubèn Serral Gracià

J. Chem. Inf. Model., 2016

2011

Composite multiscale chemical informatics for formulations: challenges and solutions.

Johannes G. E. M. Fraaije, Rubèn Serral Gracià

J. Cheminformatics, 2011

1997

LINCS: A linear constraint solver for molecular simulations.

Berk Hess, Henk Bekker, Herman J. C. Berendsen, Johannes G. E. M. Fraaije

J. Comput. Chem., 1997