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List of works by Nikolaus Stiefl

A new lead for nonpeptidic active-site-directed inhibitors of the severe acute respiratory syndrome coronavirus main protease discovered by a combination of screening and docking methods

scientific article

Bringing the MMFF force field to the RDKit: implementation and validation

scientific article (publication date: 12 July 2014)

Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach

scientific article published on 17 July 2017

ErG: 2D pharmacophore descriptions for scaffold hopping

scientific article published in January 2006

Evaluation of extended parameter sets for the 3D-QSAR technique MaP: implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids

scientific article published in May 2003

Evaluation of machine-learning methods for ligand-based virtual screening

scientific article published on 5 January 2007

Is that a scientific publication or an advertisement? Reproducibility, source code and data in the computational chemistry literature

scientific article

Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique

scientific article published in April 2003

Probing the pharmacophore for allosteric ligands of muscarinic M2 receptors: SAR and QSAR studies in a series of bisquaternary salts of caracurine V and related ring systems

scientific article

Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor

scientific article

Synthesis, biological activity, and docking studies of new acetylcholinesterase inhibitors of the bispyridinium type

scientific article published in November 2003

The integration of Open3DTOOLS into the RDKit and KNIME.

scientific article published on 11 March 2014

What's What: The (Nearly) Definitive Guide to Reaction Role Assignment

scientific article published on 08 December 2016

xMaP-An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles

scientific article published on 27 November 2017

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