Browsing by Author "Major, Dan Thomas"
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Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations
Bauer, Paul; Barrozo, Alexandre; Purg, Miha; Amrein, Beat Anton; Esguerra, Mauricio; Wilson, Philippe B.; Major, Dan Thomas; Aqvist, Johan; Kamerlin, Shina Caroline Lynn (Article)Atomistic simulations have become one of the main approaches to study the chemistry and dynamics of biomolecular systems in solution. Chemical modelling is a powerful way to understand biochemistry, with a number of different ...