Design and synthesis of caffeoyl-anilides as portmanteau inhibitors of HIV-1 integrase and CCR5

PROCHECK: a program to check the stereochemical quality of protein structures

Roman A. Laskowski, Malcolm W. MacArthur, D. S. Moss et al. · Journal of Applied Crystallography · 1993 · 24.4K citations

Protein Structures, Procheck Suite, Protein Assembly +14

Comparative Protein Modelling by Satisfaction of Spatial Restraints

Andrej Săli, Tom L. Blundell · Journal of Molecular Biology · 1993 · 13K citations

Engineering, Comparative Protein Modelling, Protein Folding +8

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.7K citations

Engineering, Molecular Biology, Computational Chemistry +22

Crystal Structure of Rhodopsin: A G Protein-Coupled Receptor

Krzysztof Palczewski, Takashi Kumasaka, Tetsuya Hori et al. · Science · 2000 · 5.6K citations

Crystal Structure, Photoreceptor Cell, Molecular Physiology +14

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Physics, Electron Spectroscopy, Natural Sciences +5