A validation study on the practical use of automated de novo design

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

P. J. Goodford · Journal of Medicinal Chemistry · 1985 · 2.6K citations

Life Sciences, Biochemistry, Biophysics +17

Rational design of potent sialidase-based inhibitors of influenza virus replication

Mark von Itzstein, Wen‐Yang Wu, Gaik B. Kok et al. · Nature · 1993 · 1.9K citations

Pharmacy, Medicinal Chemistry, Molecular Biology +16

WWW

Sowmyanarayanan Sadagopan · Ubiquity · 2002 · 1.4K citations

Life Sciences, Biology, Philosophy Of Science +1

Pyrazole Ligands:  Structure−Affinity/Activity Relationships and Estrogen Receptor-α-Selective Agonists

Shaun R. Stauffer, Christopher J. Coletta, Rosanna Tedesco et al. · Journal of Medicinal Chemistry · 2000 · 760 citations

Medicine, Endocrinology, Pharmacology +17

MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry

Paul R. Gerber, Klaus M�ller · Journal of Computer-Aided Molecular Design · 1995 · 595 citations

Natural Sciences, Medicinal Chemistry, Biomolecular Modeling +15