Emanuele Perola

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

Emanuele Perola, W. Patrick Walters, Paul S. Charifson · Proteins Structure Function and Bioinformatics · 2004 · 446 citations

Conformational Analysis of Drug-Like Molecules Bound to Proteins:  An Extensive Study of Ligand Reorganization upon Binding

Emanuele Perola, Paul S. Charifson · Journal of Medicinal Chemistry · 2004 · 442 citations

Protein Assembly, Molecular Biology, Molecular Design +18

Novel Inhibitors of Cholesterol Degradation in Mycobacterium tuberculosis Reveal How the Bacterium’s Metabolism Is Constrained by the Intracellular Environment

Brian C. VanderVen, Ruth J. Fahey, Wonsik Lee et al. · PLoS Pathogens · 2015 · 267 citations · Full text

Bacteriology, Molecular Biology, Metabolic Remodeling +17

Novel Dual-Targeting Benzimidazole Urea Inhibitors of DNA Gyrase and Topoisomerase IV Possessing Potent Antibacterial Activity: Intelligent Design and Evolution through the Judicious Use of Structure-Guided Design and Stucture−Activity Relationships

Paul S. Charifson, Anne‐Laure Grillot, Trudy H. Grossman et al. · Journal of Medicinal Chemistry · 2008 · 222 citations · Full text

Bioorganic Chemistry, Antibacterial Activity, Molecular Biology +23

Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2

Michael P. Clark, Mark W. Ledeboer, Ioana Davies et al. · Journal of Medicinal Chemistry · 2014 · 207 citations · Full text

Influenza Pb2, Medicinal Chemistry, Medicine +13