Molt, Robert W., Pellegrini, Erika and Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371 2019. A GAP-GTPase-GDP-Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers. Chemistry - A European Journal 25 (36) , pp. 8484-8488. 10.1002/chem.201901627 |
Molt, Robert, Georgiadis, Millie M. and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2017. Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations. Nucleic Acids Research 45 (7) , pp. 3643-3653. 10.1093/nar/gkx144 |
Molt, Robert, Watson, Thomas, Bazanté, Alexandre P., Bartlett, Rodney J. and Richards, Nigel G.J. ORCID: https://orcid.org/0000-0002-0375-0881 2016. Gas phase RDX decomposition pathways using coupled cluster theory. Physical Chemistry Chemical Physics 18 (37) , pp. 26069-26077. 10.1039/C6CP05121A |