Yonglan Liu

Oncogenic PI3Kα variants reveal graded conformational spectrum with mutation-specific cryptic pockets

The paper uses molecular dynamics simulations to show that double mutations in PI3K variants lead to more active conformations and drug-targetable cryptic pockets, suggesting a conformational selection strategy for drug development.

Distinct allosteric networks in CDK4 and CDK6 in the cell cycle and in drug resistance

This study identifies distinct allosteric networks in CDK4 and CDK6 that explain their differential kinase activity, inhibitor binding, and roles in cell cycle regulation and drug resistance.

mTOR variants activation discovers PI3K-like cryptic pocket, expanding allosteric, mutant-selective inhibitor designs

The paper identifies a cryptic pocket in mTOR oncogenic variants through molecular dynamics simulations and suggests designing PI3K-like inhibitors to target this pocket for therapeutic benefit.

Cell cycle progression mechanisms: slower cyclin-D/CDK4 activation and faster cyclin-E/CDK2

The paper investigates why cyclin-D/CDK4 drives the longer G1 phase while cyclin-E/CDK2 regulates the short G1/S transition, proposing slower activation for cyclin-D/CDK4 and faster for cyclin-E/CDK2, with implications for CDK4 inhibitor design.