Tobias Wulsdorf

Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

J. Schiebel, Roberto Gaspari, Tobias Wulsdorf et al. · Nature Communications · 2018 · 242 citations · Full text

Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug–Kinase Binding

B. Wienen-Schmidt, Hendrik R. A. Jonker, Tobias Wulsdorf et al. · Journal of Medicinal Chemistry · 2018 · 48 citations · Full text

Molecular Biology, Rigid Ligands, Complex Formation +16

Impact of Surface Water Layers on Protein–Ligand Binding: How Well Are Experimental Data Reproduced by Molecular Dynamics Simulations in a Thermolysin Test Case?

Michael Betz, Tobias Wulsdorf, S.G. Krimmer et al. · Journal of Chemical Information and Modeling · 2015 · 37 citations

Engineering, Computational Chemistry, Analytical Ultracentrifugation +17

Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis

C. Rechlin, Frithjof Scheer, Felix Terwesten et al. · ACS Chemical Biology · 2017 · 32 citations · Full text

Parent Ligand Scaffold, Engineering, Aldo-keto Reductase +25

Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin

Jonathan Cramer, S.G. Krimmer, Veronica Fridh et al. · ACS Chemical Biology · 2016 · 16 citations