Computer Simulations of Drug–DNA Interactions: A Personal Journey

This chapter updates much of what was contained in the first edition and includes new material on more tetrahydroisoquinoline antibiotics related to trabectedin, investigating the details of bis-adduct formation with Mitomycin C and a novel study entitled “melting DNA on the computer”. Throughout the emphasis is firmly rooted in computer simulations ‘in silico’ aimed at furnishing evidence of their relevance to experimental studies.