Ab initio studies of targets for pharmaceutical intervention

Ph.D. thesis

Sulpizi, Marialore

Area: Physics

Advisor: Carloni, Paolo; Cattaneo, Antonino

Ph.D. course: Theory and Numerical Simulation of Condensed Matter

Academic year: 2000-2001

Date: 2001-10-25

URI: http://hdl.handle.net/1963/5415

Keyword: Density Functional Theory; Car-Parrinello molecular dynamics; QM/MM simulations

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