Kai Sommer

发表

Synthetic cannabinoids: In silico prediction of the cannabinoid receptor 1 affinity by a quantitative structure-activity relationship model.

E. Proschak, S. Toennes, Janosch Achenbach, 2016, Toxicology Letters.

NAOMInext - Synthetically feasible fragment growing in a structure-based design context.

M. Rarey, Kai Sommer, Florian Flachsenberg, 2019, European journal of medicinal chemistry.

Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation

Matthias Rarey, Kai Sommer, Hans Briem, 2017, ChemMedChem.

NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures

Matthias Rarey, Kai Sommer, Stefan Bietz, 2017, J. Chem. Inf. Model..

From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.

Matthias Rarey, Thomas Otto, Agnes Meyder, 2017, Journal of biotechnology.

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

Conformator: A Novel Method for the Generation of Conformer Ensembles

Matthias Rarey, Agnes Meyder, Kai Sommer, 2019, J. Chem. Inf. Model..

Benchmarking Commercial Conformer Ensemble Generators

Matthias Rarey, Kai Sommer, Nils-Ole Friedrich, 2017, J. Chem. Inf. Model..

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators

Matthias Rarey, Agnes Meyder, Kai Sommer, 2017, J. Chem. Inf. Model..

UNICON: A Powerful and Easy-to-Use Compound Library Converter

Matthias Rarey, Kai Sommer, Nils-Ole Friedrich, 2016, J. Chem. Inf. Model..

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses

Matthias Rarey, Agnes Meyder, Kai Sommer, 2020, J. Chem. Inf. Model..