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David Wifling

University of Regensburg

23

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247

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Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers.

2021 arXiv: Distributed, Parallel, and Cluster Computing
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N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide Y Y4 Receptor Ligands Results in Picomolar Binding Constants.

2021 Journal of Medicinal Chemistry
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IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads

2021 ICPP | International Conference on Parallel Processing
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Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers

2021 arXiv: Distributed, Parallel, and Cluster Computing
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Dibenzodiazepinone-type muscarinic receptor antagonists conjugated to basic peptides: impact of the linker moiety and unnatural amino acids on M2R selectivity

2021 European Journal of Medicinal Chemistry
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Water-soluble inhibitors of ABCG2 (BCRP) - A fragment-based and computational approach.

2020 European Journal of Medicinal Chemistry
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UR-DEBa242: A Py-5-Labeled Fluorescent Multipurpose Probe for Investigations on the Histamine H3 and H4 Receptors

2020 Journal of Medicinal Chemistry
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Red-emitting dibenzodiazepinone derivatives as fluorescent dualsteric probes for the muscarinic acetylcholine M2 receptor.

2020 Journal of Medicinal Chemistry
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Argininamide-type neuropeptide Y Y1 receptor antagonists: the nature of Nω-carbamoyl substituents determines Y1R binding mode and affinity

2020
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Structure‐Activity Relationship of Hetarylpropylguanidines Aiming at the Development of Selective Histamine Receptor Ligands †

2019 ChemistryOpen
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