Simone Sciabola

14PUBLICATIONS
22CO-AUTHORS
Biologically active moleculesBioinformatic methods developmentChemical engineering designCheminformatics and quantitative structure-activity relationshipsFormal methods for software
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Publications (14)

|Apr 07, 2026
Leveraging Kinase Drugs for Neurosciences: Discovery of Selective, CNS-Penetrant Reversible Bruton's Tyrosine Kinase Inhibitors as Therapeutics for Neuroinflammation.

Brian T Hopkins, Isaac E Marx, Harlod George Vandeveer

|Mar 20, 2026
Application of protein language models for antibody developability prediction.

Samad Amini, Yimin Huang, Mark Julian

|Jan 01, 2026
Correction to "ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances".

Rasha Atwi, Stephen Farr, Ye Wang

|Sep 24, 2025
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances.

Rasha Atwi, Stephen Farr, Ye Wang

|Mar 17, 2025
Macrocyclic Rearrangement Ion Fragmentation of Glutathione Conjugates of Cyclobutane-Containing Covalent BTK Inhibitors.

Cathy A Muste, Chungang Gu, H George Vandeveer

|Oct 30, 2024
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring.

Rasha Atwi, Ye Wang, Simone Sciabola

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Frequent Collaborators

6 joint publications

Ye Wang

3 joint publications

Cathy A Muste

3 joint publications

Adam Antoszewski

2 joint publications

Brian T Hopkins