Rainer Wilcken

According to our database, Rainer Wilcken authored at least 6 papers between 2012 and 2021.

Collaborative distances:

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

2021

ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.

Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken

J. Comput. Aided Mol. Des., 2021

2019

Benchmarking Different QM Levels for Usage with COSMO-RS.

Jens Reinisch, Michael Diedenhofen, Rainer Wilcken, Anikó Udvarhelyi, Andreas Glöß

J. Chem. Inf. Model., 2019

2018

High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.

Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme

J. Comput. Aided Mol. Des., 2018

2014

Machine Learning Estimates of Natural Product Conformational Energies.

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider

PLoS Comput. Biol., 2014

2013

Targeting Histidine Side Chains in Molecular Design through Nitrogen-Halogen Bonds.

Andreas Lange, Markus O. Zimmermann, Rainer Wilcken, Stefan Zahn, Frank M. Boeckler

J. Chem. Inf. Model., 2013

2012

Using halogen bonds to address the protein backbone: a systematic evaluation.

Rainer Wilcken, Markus O. Zimmermann, Andreas Lange, Stefan Zahn, Frank M. Boeckler

J. Comput. Aided Mol. Des., 2012