Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity.

Kulharia, Mahesh; Goody, Roger S; Jackson, Richard M

Kulharia, Mahesh; Goody, Roger S; Jackson, Richard M.

Affiliation

Kulharia M; Department of Physical Biochemistry, Max Planck Institute of Molecular Physiology, Otto Hahn Strasse 11, Dortmund, Germany.

J Chem Inf Model ; 48(10): 1990-8, 2008 Oct.

Article in En | MEDLINE | ID: mdl-18767831

Subject(s)

Information Theory; Ligands; Proteins/chemistry; Structure-Activity Relationship; Adenosine Deaminase/chemistry; Adenosine Deaminase/drug effects; Algorithms; Computer Simulation; Databases, Protein; Drug Evaluation, Preclinical; Entropy; Phosphoribosylglycinamide Formyltransferase/chemistry; Phosphoribosylglycinamide Formyltransferase/drug effects; Protein Binding; Protein Conformation; Reproducibility of Results; Software; X-Ray Diffraction

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Structure-Activity Relationship / Proteins / Information Theory / Ligands Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2008 Document type: Article Affiliation country: Germany

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