Structural Protein Function
Structural Protein Function
Communication
Communication
08:49Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Fruit Development, Structure, and Function
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Updated: Jan 20, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Angelo Felline1, Luca Belmonte1, Francesco Raimondi1
1Department of Life Sciences , University of Modena and Reggio Emilia , via Campi 103 , 41125 Modena , Italy.
Structural differences in Lbc RhoGEF explain its cancer-driving activity. Its flexibility and less stable pathways, unlike its homolog, determine constitutive activity, offering potential drug targets.
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