Suchergebnisse - "Hüfner-Wulsdorf, Tobias"

PubPharm (7)

1

Mapping Water Thermodynamics on Drug Candidates via Molecular Building Blocks : a Strategy to Improve Ligand Design and Rationalize SAR

enthalten in: Journal of medicinal chemistry | 2021

von Hüfner-Wulsdorf, T. | Klebe, G.

2

Advancing GIST-Based Solvent Functionals through Multiobjective Optimization of Solvent Enthalpy and Entropy Scoring Terms

enthalten in: Journal of chemical information and modeling | 2020

von Hüfner-Wulsdorf, T. | Klebe, G.

3

Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT

enthalten in: Journal of medicinal chemistry | 2020

von Hassaan, E. | Hohn, C. | Ehrmann, F. | +8

4

Protein-Ligand Complex Solvation Thermodynamics : Development, Parameterization, and Testing of GIST-Based Solvent Functionals

enthalten in: Journal of chemical information and modeling | 2020

von Hüfner-Wulsdorf, T. | Klebe, G.

5

Role of Water Molecules in Protein-Ligand Dissociation and Selectivity Discrimination : Analysis of the Mechanisms and Kinetics of Biomolecular Solvation Using Molecular Dynamics

enthalten in: Journal of chemical information and modeling | 2020

von Hüfner-Wulsdorf, T. | Klebe, G.

6

Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors

enthalten in: ACS chemical biology | 2020

von Glöckner, S. | Ngo, K. | Sager, C. | +3

7

Strategies for Late-Stage Optimization : Profiling Thermodynamics by Preorganization and Salt Bridge Shielding

enthalten in: Journal of medicinal chemistry | 2019

von Sandner, A. | Hüfner-Wulsdorf, T. | Heine, A. | +2

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