Novel statistical-thermodynamic methods to predict protein-ligand binding positions using probability distribution functions

We present two novel methods to predict native protein‐ligand binding positions. Both methods identify the native binding position as the most probable position corresponding to a maximum of a probability distribution function (PDF) of possible binding positions in a protein active site. Possible bi...

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Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2006-01, Vol.62 (1), p.202-208
Hauptverfasser:	Ruvinsky, A. M., Kozintsev, A. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding Sites cluster docking Ligands Models, Molecular Models, Theoretical Probability probability distribution function Protein Binding protein-ligand binding Proteins - chemistry Proteins - metabolism Software Thermodynamics
Online-Zugang:	Volltext
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