Computational prediction of molecular solar-thermal systems’ properties.
Computational study of Ga3+/ Fe3+ competition for Heme-B binding in Mycobacterium tuberculosis catalase.
Computational study of Ga3+/ Fe3+ competition for Heme-B binding in Pseudomonas aeruginosa catalase.
Comparison of binding modes and relative energies of diverse DNA G-quadruplex ligands.