mTOR Variants Activation Discovers PI3K-like Cryptic Pocket, Expanding Allosteric, Mutant-Selective Inhibitor Designs.
J. Chem. Inf. Model., 2025
Capturing Autoinhibited PDK1 Reveals the Linker's Regulatory Role, Informing Innovative Inhibitor Design.
J. Chem. Inf. Model., 2024
Allosteric Activation of RhoA Complexed with p115-RhoGEF Deciphered by Conformational Dynamics.
J. Chem. Inf. Model., 2024
Protein ensembles link genotype to phenotype.
PLoS Comput. Biol., 2019
Correction: Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers.
PLoS Comput. Biol., 2019
Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers.
PLoS Comput. Biol., 2019
Multiple pathways in conformational transitions of the alanine dipeptide: An application of dynamic importance sampling.
J. Comput. Chem., 2006