Marcus Gastreich

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function

Nadine Schneider, Sally Hindle, Gudrun Lange et al. · Journal of Computer-Aided Molecular Design · 2011 · 146 citations

Large-scale Redocking, Engineering, Substantial Improvements +6

Automated Drawing of Structural Molecular Formulas under Constraints

Patrick C. Fricker, Marcus Gastreich, Matthias Rarey · Journal of Chemical Information and Computer Sciences · 2004 · 115 citations

Structural Formulas, Engineering, Automated Drawing +12

Indazole- and Indole-5-carboxamides: Selective and Reversible Monoamine Oxidase B Inhibitors with Subnanomolar Potency

Nikolay Tzvetkov, Sonja Hinz, Petra Küppers et al. · Journal of Medicinal Chemistry · 2014 · 98 citations · Full text

Combinatorial Chemistry, Medicinal Chemistry, Monoamine Oxidase B +13

Empirical two-body potential for solid silicon nitride, boron nitride, and borosilazane modifications

Christel M. Marian, Marcus Gastreich, Julian D. Gale · Physical review. B, Condensed matter · 2000 · 76 citations

Engineering, Cubic Boron Nitride, Solid Silicon Nitride +16

Crystal structures, binding interactions, and ADME evaluation of brain penetrant N -substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors

Nikolay Tzvetkov, Hans‐Georg Stammler, Beate Neumann et al. · European Journal of Medicinal Chemistry · 2017 · 66 citations · Full text

Medicinal Chemistry, Adme Evaluation, Brain Penetrant N +9