Simone Sciabola

A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP):  Theory and Application

Massimo Baroni, Gabriele Cruciani, Simone Sciabola et al. · Journal of Chemical Information and Modeling · 2007 · 436 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms:  From Crystallographic Data to a New Angular Function in the GRID Force Field

Emanuele Carosati, Simone Sciabola, Gabriele Cruciani · Journal of Medicinal Chemistry · 2004 · 230 citations

Life Sciences, Biochemistry, Chemistry +17

Sequence motifs associated with hepatotoxicity of locked nucleic acid—modified antisense oligonucleotides

Andrew D. Burdick, Simone Sciabola, Srinivasa R. Mantena et al. · Nucleic Acids Research · 2014 · 167 citations · Full text

Pharmacy, Pharmacology, Toxicology +14

From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design

Miha Škalič, Davide Sabbadin, Boris Sattarov et al. · Molecular Pharmaceutics · 2019 · 139 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +16

High Throughput Method for the Indirect Detection of Intramolecular Hydrogen Bonding

Gilles H. Goetz, William Farrell, Marina Shalaeva et al. · Journal of Medicinal Chemistry · 2014 · 113 citations · Full text

Pharmacy, Chemistry, Pharmaceutical Analysis +15