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Michael Skinner
Unveiling molecular insights into the mechanism of activation of oncogenic phosphoinositide 3-kinase mutants
Stefan G. Krimmer, Joseph Schlessinger
Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands
Maria-Elena Liosi, Joseph A. Ippolito, Sean P. Henry, Stefan G. Krimmer, Ana S. Newton, Kara J. Cutrona, Rene A. Olivarez, Jyotidarsini Mohanty, Joseph Schlessinger, William L. Jorgensen
Elucidating the origin of long residence time binding for inhibitors of the metalloprotease thermolysin
Jonathan Cramer, Stefan G. Krimmer, Veronica Fridh, Tobias Wulsdorf, Robert Karlsson, Andreas Heine, Gerhard Klebe
Methyl, ethyl, propyl, butyl: Futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitors
Stefan G. Krimmer, Michael Betz, Andreas Heine, Gerhard Klebe
Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands
Stefan G. Krimmer, Jonathan Cramer, Michael Betz, Veronica Fridh, Robert Karlsson, Andreas Heine, Gerhard Klebe
Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor
Thomas K. Dawson, Pawel Dziedzic, Michael J. Robertson, José A. Cisneros, Stefan G. Krimmer, Ana S. Newton, Julian Tirado-Rives, William L. Jorgensen
Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies
Sean P. Henry, Maria-Elena Liosi, Joseph A. Ippolito, Kara J. Cutrona, Stefan G. Krimmer, Ana S. Newton, Joseph Schlessinger, William L. Jorgensen
Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention
Stefan G. Krimmer, Nicole Bertoletti, Yoshihisa Suzuki, Luka Katic, Jyotidarsini Mohanty, Sheng Shu, Sangwon Lee, Irit Lax, Wei Mi, Joseph Schlessinger
How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S<sub>1</sub>′ Pocket of Thermolysin
Stefan G. Krimmer, Jonathan Cramer, Johannes Schiebel, Andreas Heine, Gerhard Klebe