Abba E Leffler

4PUBLICATIONS
13CO-AUTHORS
Computational chemistryCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designSensory systems
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Journal

Publications (4)

|Jan 16, 2026
Prediction of Atropisomerism for Drug-like Molecules.

Ty Balduf, Philip A Gerken, Mee Y Shelley

|Oct 12, 2025
Discovery of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 Main Protease through Computer-Aided Drug Design.

Atsutoshi Okabe, Daniel W Carney, Michiko Tawada

|Mar 19, 2025
Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations.

Abba E Leffler, Evelyne M Houang, Felicia Gray

|Dec 05, 2023
Basic Residues at Position 11 of α-Conotoxin LvIA Influence Subtype Selectivity between α3β2 and α3β4 Nicotinic Receptors via an Electrostatic Mechanism.

Yves Haufe, Veeresh Kuruva, Ziyana Samanani

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Frequent Collaborators

2 joint publications

Jeffrey A Bell

1 joint publications

Yves Haufe

1 joint publications

Jared M Sampson

1 joint publications

Ashraf Brik