Ulrich Grädler

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Christina Schindler, Hannah M. Baumann, Andreas Blum et al. · Journal of Chemical Information and Modeling · 2020 · 292 citations

Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations

Daria B. Kokh, Marta Amaral, Joerg Bomke et al. · Journal of Chemical Theory and Computation · 2018 · 254 citations · Full text

Dissociation Trajectories, Drug Target, Engineering +22

EMD 1214063 and EMD 1204831 Constitute a New Class of Potent and Highly Selective c-Met Inhibitors

Friedhelm Bladt, Bettina Faden, Manja Friese‐Hamim et al. · Clinical Cancer Research · 2013 · 138 citations · Full text

Virtual Screening for Submicromolar Leads of tRNA-guanine Transglycosylase Based on a New Unexpected Binding Mode Detected by Crystal Structure Analysis

Ruth Brenk, Ulrich Grädler, Hans‐Dieter Gerber et al. · Journal of Medicinal Chemistry · 2003 · 103 citations · Full text

Drug Target, Biomolecular Structure Prediction, Molecular Biology +20

Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors

Dieter Dorsch, Oliver Schadt, Frank Stieber et al. · Bioorganic & Medicinal Chemistry Letters · 2015 · 88 citations · Full text

Medicinal Chemistry, Biochemistry, Medicine +7