Marc C. Nicklaus

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Kamel Mansouri, Ahmed Abdelaziz, Aleksandra Rybacka et al. · Environmental Health Perspectives · 2016 · 361 citations · Full text

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 · 233 citations

Engineering, Hit Identification, Activity Spectra +24

Conformational changes of small molecules binding to proteins

Marc C. Nicklaus, Shaomeng Wang, John S. Driscoll et al. · Bioorganic & Medicinal Chemistry · 1995 · 229 citations

Protein Chemistry, Protein Assembly, Protein Folding +7

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 · 217 citations

Bioorganic Chemistry, Databases, Molecular Biology +27

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

Medicinal Chemistry, Hiv-1 Integrase, Medicine +15