Expanding the Toolbox for Computational Analysis in Rational Drug Discovery: Using Biomolecular Solvation to Predict Thermodynamic, Kinetic and Structural Properties of Protein-Ligand Complexes

Míreanna comhchosúla

• Inhibitor Synthesis and Biophysical Characterization of Protein–Ligand–Solvent Interactions An Analysis of the Thermodynamics and Kinetics of Ligand Binding to Thermolysin
  de réir: Cramer, Jonathan
  Foilsithe / Cruthaithe: (2017)
• Thermodynamic, Kinetic and Crystallographic Investigations of Benzenesulfonamides as Ligands of Human Carbonic Anhydrase II
  de réir: Glöckner, Steffen
  Foilsithe / Cruthaithe: (2020)
• Insights into Protein-Ligand Molecular Recognition: Thermodynamic, Kinetic and Structural Characterization of Inhibitor Binding to Aldose Reductase and Carbonic Anhydrase II
  de réir: Rechlin, Chris
  Foilsithe / Cruthaithe: (2015)
• Systematic Correlation of Structural, Thermodynamic and Residual Solvation Properties of Hydrophobic Substituents in Hydrophobic Pockets Using Thermolysin as a Case Study
  de réir: Krimmer, Stefan Günter
  Foilsithe / Cruthaithe: (2017)
• Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding
  de réir: Betz, Michael
  Foilsithe / Cruthaithe: (2015)