Computational methods to predict binding free energy in ligand-receptor complexes.
Ajay
Vertex Pharmaceuticals Incorporated, Cambridge, Massachusetts 02139-4211, USA.
Murcko
M A
MA
D008024:Ligands; D008433:Mathematics; D008956:Models, Chemical; D011485:Protein Binding; D011506:Proteins / Q000378:metabolism*; D012044:Regression Analysis; D012997:Solvents; D013816:Thermodynamics
D008024:Ligands; D011506:Proteins; D012997:Solvents