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List of works by Kai Sommer

A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses

scientific article published on 01 December 2020

Benchmarking Commercial Conformer Ensemble Generators

scientific article

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

scientific article published on 4 October 2017

Conformator: A Novel Method for the Generation of Conformer Ensembles

scientific article published on 12 February 2019

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

scientific article

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

scientific article published on 16 February 2017

NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures

scientific article published on 11 September 2017

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

scientific article published on 12 January 2016

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

scientific article

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