Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches - Lee, Michael S.; Olson, Mark A. (Biophysical journal, 2006)
Keywords: Binding Sites; Biophysical Theory and Modeling; Biophysics - methods; Butanones - chemistry; Carrier Proteins; Comparative analysis; Computer Simulation; Crystallography, X-Ray; Entropy; Hot Temperature; Hydrogen Bonding; Kinetics; Ligands; Models, Molecular; Molecular Structure; Molecules; Protein Binding; Protein Conformation; Proteins; Proteins - chemistry; Solvents; Tacrolimus - chemistry; Thermodynamics