PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 16683800-4 2006 According to pointwise thermodynamic integration involving constrained molecular dynamics simulations, solvation facilitates the transition of the chelating nitrate ligand to a eta1-bonding mode: the free energy of UO2(eta2-NO3)(eta1-NO3)(OH2)2 relative to the bis-chelating minimum drops from 3.9 kcal/mol in vacuo to 1.4 kcal/mol in water. uo2 215-218 DNA polymerase iota Homo sapiens 219-223 32186181-7 2020 The binding energy of O2 to neutral UO2 in a eta2 orientation was calculated to be very strong, 75.4 kcal/mol, and strongly resembled a UO2+(O2-) complex at equilibrium. uo2 36-39 DNA polymerase iota Homo sapiens 45-49