3D-QSAR study, docking molecular and simulation dynamic on series of benzimidazole derivatives as anti-cancer agents

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacokinetics +16

Cancer Statistics, 2008

Ahmedin Jemal, Rebecca L. Siegel, Elizabeth Ward et al. · CA A Cancer Journal for Clinicians · 2008 · 10.2K citations · Full text

Medicine, Oncology, Cancer Epidemiology +16

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

Life Sciences, Biochemistry, Pharmacology +14

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations

Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

Norman L. Allinger · Journal of the American Chemical Society · 1977 · 3.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +6