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David Schaller · SciRah

Researcher profile · Semantic Scholar

David Schaller

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David Schaller — researcher profile on SciRah

h-index: 10
Works: 20
Citations: 659

Most-cited papers

Next generation 3D pharmacophore modeling
David Schaller, Dora Šribar, Theresa Noonan, Lihua Deng +5 more
2020WIREs Computational Molecular Science234 citations Open access
Semantic Scholar
MEN1 mutations mediate clinical resistance to Menin inhibition
F. Perner, E. Stein, Daniela V. Wenge, Sukrit Singh +25 more
2023Nature223 citations Open access
Semantic Scholar
Binding mechanism investigations guiding the synthesis of novel condensed 1,4-dihydropyridine derivatives with L-/T-type calcium channel blocking activity.
David Schaller, M. Gündüz, Fang-Xiong Zhang, G. Zamponi +1 more
2018European journal of medicinal chemistry44 citations
Semantic Scholar
Discovery of Michael acceptor containing 1,4-dihydropyridines as first covalent inhibitors of L-/T-type calcium channels.
Hande Aygün Cevher, David Schaller, M. Gandini, O. Kaplan +7 more
2019Bioorganic chemistry (Print)25 citations
Semantic Scholar
From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement.
Yelena Mostinski, G. Heynen, M. P. López-Alberca, J. Paul +17 more
2020Journal of Medicinal Chemistry24 citations Open access
Semantic Scholar
PyRod: Tracing Water Molecules in Molecular Dynamics Simulations
David Schaller, S. Pach, Gerhard Wolber
2019Journal of Chemical Information and Modeling19 citations Open access
Semantic Scholar
Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands
David Schaller, S. Hagenow, H. Stark, Gerhard Wolber
2019PLoS ONE15 citations Open access
Semantic Scholar
TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research
Dominique Sydow, Jaime Rodríguez-Guerra, Talia B. Kimber, David Schaller +7 more
2022Nucleic Acids Res.14 citations Open access
Semantic Scholar
Garcinol from Garcinia indica inhibits HIV‐1 reverse transcriptase‐associated ribonuclease H
A. Corona, Sebastian Seibt, David Schaller, R. Schobert +3 more
2021Archiv der Pharmazie13 citations Open access
Semantic Scholar
Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors.
S. Pach, Tim M. Sarter, Rafee Yousef, David Schaller +5 more
2020ACS Medicinal Chemistry Letters11 citations Open access
Semantic Scholar
New 3-Aryl-2-(2-thienyl)acrylonitriles with High Activity Against Hepatoma Cells
E. Schaller, An-Di Ma, Lisa Chiara Gosch, A. Klefenz +9 more
2021International Journal of Molecular Sciences10 citations Open access
Semantic Scholar
Systematic Data Mining Reveals Synergistic H3R/MCHR1 Ligands.
David Schaller, S. Hagenow, G. Alpert, A. Naß +4 more
2017ACS Medicinal Chemistry Letters8 citations Open access
Semantic Scholar
Benchmarking Cross-Docking Strategies for Structure-Informed Machine Learning in Kinase Drug Discovery
David Schaller, Clara D. Christ, J. Chodera, Andrea Volkamer
2023bioRxiv5 citations Open access
Semantic Scholar
BiasDB: A Comprehensive Database for Biased GPCR Ligands
Christian Omieczynski, T. Nguyen, Dora Šribar, Lihua Deng +4 more
2019bioRxiv5 citations Open access
Semantic Scholar
Identification of NUV-244 as a PNPLA3 I148M degrading small molecule
Patrick Steigemann, N. Braeuer, V. Puetter, Nina Zablowsky +18 more
2025iScience4 citations Open access
Semantic Scholar
PyRod Enables Rational Homology Model‐based Virtual Screening Against MCHR1
David Schaller, Gerhard Wolber
2020Molecular Informatics4 citations Open access
Semantic Scholar
Assessment of Flexible Shape Complementarity: New Opportunities to Explain and Induce Selectivity in Ligands of Protein Tyrosine Phosphatase 1B
A. Naß, David Schaller, Gerhard Wolber
2019Molecular Informatics3 citations
Semantic Scholar
Synergistic Target Combinations Against Obesity: Focus on MCHR1/H3R Modulation
David Schaller
20201 citations
Semantic Scholar
Gene Family Histories: Theory and Algorithms
David Schaller
20210 citations
Semantic Scholar
Exploiting Water Dynamics for Pharmacophore Screening.
David Schaller, S. Pach, M. Bermudez, Gerhard Wolber
2021Methods in molecular biology0 citations
Semantic Scholar

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Gerhard Wolber×11
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Gerhard Wolber — researcher profile on SciRah
Andrea Volkamer×6
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