Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 38.9K citations

Biological Database, Biochemistry, Structural Bioinformatics +12

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Richard D. Cramer, David E. Patterson, Jeffrey D. Bunce · Journal of the American Chemical Society · 1988 · 3.9K citations

Proteinlipid Interaction, Protein Assembly, Altmetric Attention Score +18

A geometric approach to macromolecule-ligand interactions

Irwin D. Kuntz, Jeffrey M. Blaney, Stuart J. Oatley et al. · Journal of Molecular Biology · 1982 · 2.2K citations

Medicine, Computational Chemistry, Molecular Docking +3

Structure and energetics of ligand binding to proteins: <i>Escherichia coli</i> dihydrofolate reductase‐trimethoprim, a drug‐receptor system

Pnina Dauber‐Osguthorpe, Victoria A. Roberts, David J. Osguthorpe et al. · Proteins Structure Function and Bioinformatics · 1988 · 2K citations

Protein Chemistry, Rms Deviations, Drug Target +15

Synthesis and Biological Evaluation of the 1,5-Diarylpyrazole Class of Cyclooxygenase-2 Inhibitors:  Identification of 4-[5-(4-Methylphenyl)-3- (trifluoromethyl)-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide (SC-58635, Celecoxib)

Thomas D. Penning, John J. Talley, Stephen R. Bertenshaw et al. · Journal of Medicinal Chemistry · 1997 · 1.9K citations · Full text