Marc C. Nicklaus

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Kamel Mansouri, Ahmed Abdelaziz, Aleksandra Rybacka et al. · Environmental Health Perspectives · 2016 · 372 citations · Full text

Pharmacy, Endocrinology, Toxicology +15

PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

Vladimir Poroikov, Wolf‐Dietrich Ihlenfeldt, Tatyana A. Gloriozova et al. · Journal of Chemical Information and Computer Sciences · 2002 · 236 citations

Pharmacy, Medicinal Chemistry, Pharmacology +15

Conformational changes of small molecules binding to proteins

Marc C. Nicklaus, Shaomeng Wang, John S. Driscoll et al. · Bioorganic & Medicinal Chemistry · 1995 · 230 citations

Life Sciences, Biochemistry, Biophysics +14

Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

Johannes Voigt, Bruno Bienfait, Shaomeng Wang et al. · Journal of Chemical Information and Computer Sciences · 2001 · 220 citations

Pharmacy, Chemistry, Medicinal Chemistry +13

Depsides and Depsidones as Inhibitors of HIV-1 Integrase:  Discovery of Novel Inhibitors through 3D Database Searching

Nouri Neamati, Huixiao Hong, Abhijit Mazumder et al. · Journal of Medicinal Chemistry · 1997 · 207 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +13