A. A. Lee

Discovery of SARS-CoV-2 papain-like protease (PLpro) inhibitors with efficacy in a murine infection model

This study identifies potent SARS-CoV-2 PLpro inhibitors using machine learning, showing efficacy in a mouse model of COVID-19.

Bimodality in Ras signaling originates from processivity of the Ras activator SOS without classic kinetic bistability

The paper shows that Ras signaling bimodality arises from SOS processivity, not kinetic bistability, and is controlled by scaffold protein condensation.

Turning high-throughput structural biology into predictive inhibitor design

This paper develops a machine learning framework to predict protein-ligand affinity from structural data, enabling the design of potent inhibitors against SARS-CoV-2 Main Protease.

Membrane-mediated dimerization potentiates PIP5K lipid kinase activity

This study shows that PIP5K dimerization enhances its catalytic efficiency and stochastic behavior through membrane-mediated interactions with PI(4,5)P2.

Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors

The paper describes an open-science drug discovery campaign that identified a non-covalent, non-peptidic inhibitor of SARS-CoV-2 main protease using crowdsourcing and computational methods.

Machine learning models for predicting protein condensate formation from sequence determinants and embeddings

This paper develops machine learning models to predict protein condensate formation using sequence determinants and embeddings, achieving high accuracy and sensitivity.

Temporal Gut Microbial Changes Predict Recurrent Clostridium difficile in Patients with and without Ulcerative Colitis

The paper identifies microbial features predicting recurrent Clostridium difficile infection in UC patients and non-UC individuals using 16S rRNA sequencing and logistic regression models.