Free Energy Perturbation
Publications in which techniques based on Free Energy Perturbation or related concepts were used/implemented
Publications in which techniques based on Free Energy Perturbation or related concepts were used/implemented
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Oh S, MARINELLI F#, Zhou, Lee J, Choi HJ, Kim M, Faraldo-Gómez JD, Hite RK (2022). Differential ion dehydration energetics explains selectivity in the non-canonical lysosomal K+ channel TMEM175. eLIFE. 11: e75122. Link
MARINELLI F, Almagor L, Hiller R, Giladi M, Khananshvili D, Faraldo-Gómez JD (2014). Sodium recognition by the Na+/Ca2+ exchanger in the outward-facing conformation. PROC NATL ACAD SCI USA. doi:10.1073/pnas.1415751111, PDF, Link
MARINELLI F, Kuhlmann SI, Grell E, Kunte HJ, Ziegler C, Faraldo-Gomez JD (2011). Evidence for an allosteric mechanism of substrate release from membrane-transporter accessory binding proteins. PROC NATL ACAD SCI USA, vol. 108; p. E1285-E1292, ISSN: 0027-8424, doi: 10.1073/pnas.1112534108, PDF, Link
D'Abramo M, Aschi M, MARINELLI F, Di Nola A, Amadei A (2007). Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water. J MOL STRUC-THEOCHEM, vol. 811; p. 197-201, ISSN: 0166-1280, doi: 10.1016/j.theochem.2007.01.025, Link
D'Alessandro M, MARINELLI F, D'Abramo M, Aschi M, Di Nola A, Amadei A (2005). Ground and excited electronic state thermodynamics of aqueous carbon monoxide: A theoretical study. J CHEM PHYS, vol. 122, ISSN: 0021-9606, doi: 10.1063/1.1870832, Link