PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 28782942-3 2017 From a plethora of computational methods, this work provides both microscopic insights and free-energy profiles of the binding between uranyl and deprotonated glutardiamidoxime (H2B) for which experimental structural information is not available, despite H2B being an important model ligand with an open-chain conformation for understanding aqueous uranium extraction chemistry. uranyl 135-141 H2B clustered histone 21 Homo sapiens 178-181 28782942-3 2017 From a plethora of computational methods, this work provides both microscopic insights and free-energy profiles of the binding between uranyl and deprotonated glutardiamidoxime (H2B) for which experimental structural information is not available, despite H2B being an important model ligand with an open-chain conformation for understanding aqueous uranium extraction chemistry. uranyl 135-141 H2B clustered histone 21 Homo sapiens 255-258