David Schaller

Next generation 3D pharmacophore modeling

David Schaller, Dora Šribar, Theresa Noonan et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 250 citations · Full text

Engineering, Machine Learning, Computational Chemistry +23

MEN1 mutations mediate clinical resistance to menin inhibition

Florian Perner, Eytan M. Stein, Daniela V. Wenge et al. · Nature · 2023 · 214 citations · Full text

Genetics, Resistance Mutation (Virology), Men1 Mutations +4

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Melissa L. Boby, D. Fearon, Matteo P. Ferla et al. · Science · 2023 · 158 citations · Full text

Binding mechanism investigations guiding the synthesis of novel condensed 1,4-dihydropyridine derivatives with L-/T-type calcium channel blocking activity

David Schaller, Miyase Gözde Gündüz, Fang Xiong Zhang et al. · European Journal of Medicinal Chemistry · 2018 · 45 citations

Derivatives, 1,4-Dihydropyridine Derivatives, Organic Chemistry +5

From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement

Yelena Mostinski, Guus J.J.E. Heynen, María P. López‐Alberca et al. · Journal of Medicinal Chemistry · 2020 · 24 citations · Full text