Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling

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

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

Natural Sciences, Chemistry, Physics +10

An all atom force field for simulations of proteins and nucleic acids

Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen et al. · Journal of Computational Chemistry · 1986 · 3.4K citations

Natural Sciences, Biochemistry, Chemistry +17

A Transgenic Model of Visceral Obesity and the Metabolic Syndrome

Hiroaki Masuzaki, J. Paterson, Hiroshi Shinyama et al. · Science · 2001 · 1.8K citations

Medicine, Biochemistry, Endocrinology +17

11β-Hydroxysteroid dehydrogenase type 1 knockout mice show attenuated glucocorticoid-inducible responses and resist hyperglycemia on obesity or stress

Yuri Kotelevtsev, Megan C. Holmes, Ann N. Burchell et al. · Proceedings of the National Academy of Sciences · 1997 · 855 citations

Life Sciences, Biochemistry, Endocrinology +17

Critical evaluation of search algorithms for automated molecular docking and database screening

Todd Ewing, Irwin D. Kuntz · Journal of Computational Chemistry · 1997 · 535 citations

Pharmacy, Bioinformatics, Chemistry +17