Daniel K. Gehlhaar

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

Daniel K. Gehlhaar, Gennady M. Verkhivker, Paul A. Rejto et al. · Chemistry & Biology · 1995 · 678 citations · Full text

Hiv-1 Protease, Protein Assembly, Protein Folding +13

Rapid automated molecular replacement by evolutionary search

Charles R. Kissinger, Daniel K. Gehlhaar, David B. Fogel · Acta Crystallographica Section D Biological Crystallography · 1999 · 580 citations

Structural Bioinformatics, Biomolecular Structure Prediction, Genetics +18

Deciphering common failures in molecular docking of ligand-protein complexes

Gennady M. Verkhivker, Djamal Bouzida, Daniel K. Gehlhaar et al. · Journal of Computer-Aided Molecular Design · 2000 · 239 citations

Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin

Katarina S. Midelfort, R. Pravin Kumar, Seungil Han et al. · Protein Engineering Design and Selection · 2012 · 132 citations · Full text

Engineering, Analytical Ultracentrifugation, Enzymatic Modification +19

De Novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation

Daniel K. Gehlhaar, Karl E. Moerder, Dominic A. Zichi et al. · Journal of Medicinal Chemistry · 1995 · 126 citations