Molecular Modeling and Drug Discovery

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Recent Publications
Jahid S., Ortega J.A., Vuong L.M., Acquistapace I.M., Hachey S.J., Flesher J.L., La Serra M.A., Brindani N., La Sala G., Manigrasso J., et al.
Structure-based design of CDC42 effector interaction inhibitors for the treatment of cancer
Cell Reports, vol. 39, (no. 1)
Manigrasso J., Marcia M., De Vivo M.
Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery
Chem, vol. 7, (no. 11), pp. 2965-2988
Franco-Ulloa S., Tatulli G., Bore S.L., Moglianetti M., Pompa P.P., Cascella M., De Vivo M.
Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions
Nature Communications, vol. 11, (no. 1)
Donati E., Genna V., De Vivo M.
Recruiting Mechanism and Functional Role of a Third Metal Ion in the Enzymatic Activity of 5′ Structure-Specific Nucleases
Journal of the American Chemical Society, vol. 142, (no. 6), pp. 2823-2834
Manigrasso J., Chillon I., Genna V., Vidossich P., Somarowthu S., Pyle A.M., De Vivo M., Marcia M.
Visualizing group II intron dynamics between the first and second steps of splicing
Nature Communications, vol. 11, (no. 1)


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