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Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions by Maria Carola Colombo, Martin Zumstein, Joost VandeVondele, Marialore Sulpizi, Katrin Spiegel, Ute Röhrig, Stefano Piana, Patrick Maurer, Alessandra Magistrato, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger
Published 2002-01-01
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