Journal of chemical information and modelingGlycoproteinsEye ProteinsHumansMolecular Dynamics SimulationCytoskeletal Proteins
Enhanced and Classical MD Simulations Map Aggregation-Prone Regions in the Olfactomedin Domain of Myocilin.
Inci Sardag, Zeynep Sevval Duvenci, Emel Timucin
Published: 202610.1021/acs.jcim.5c02828
Abstract
This study provides a comprehensive computational map of the aggregation-prone regions (APRs) in the olfactomedin (OLF) domain of human myocilin through an integrative approach combining classical MD at multiple temperatures, Gaussian-accelerated MD…
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