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The Journal of Chemical Physics|July 19, 2023
Multiresolution graph transformers and wavelet positional encoding for learning long-range and hierarchical structuresNhat Khang Ngo, Truong Son Hy, Risi KondorBiomolecules|April 2, 2020
The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase IISteffen Glöckner, Khang Ngo, Björn Wagner, et al.Chemmedchem|October 8, 2020
Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding PosesBarbara Wienen-Schmidt, Matthias Oebbeke, Khang Ngo, et al.Journal of Medicinal Chemistry|February 4, 2020
Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?Khang Ngo, Chelsey Collins-Kautz, Stefan Gerstenecker, et al.JAMA Network Open|April 11, 2024
Physician Empathy and Chronic Pain OutcomesJohn C Licciardone, Yen Tran, Khang Ngo, et al.ACS Chemical Biology|February 7, 2020
Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase InhibitorsSteffen Glöckner, Khang Ngo, Christoph P Sager, et al.Biomolecules|December 24, 2021
Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase?Anna Sandner, Khang Ngo, Christoph P Sager, et al.Angewandte Chemie (International Ed. in English)|April 4, 2017
Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to TrypsinJohannes Schiebel, Roberto Gaspari, Anna Sandner, et al.Nature Communications|September 5, 2018
Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexesJohannes Schiebel, Roberto Gaspari, Tobias Wulsdorf, et al.Journal of Medicinal Chemistry|January 20, 2021
How a Fragment Draws Attention to Selectivity Discriminating Features between the Related Proteases Trypsin and ThrombinAnna Sandner, Khang Ngo, Johannes Schiebel, et al.Pageof 1