Beyond AlphaFold2: Fast Yet Accurate Computational Enzyme Design
Edifici Cluster I, Aula Fèlix Serratosa C/ Baldiri Reixac 10-12, Barcelona, Barcelona, EspanyaIn this talk, the rational approaches we have developed for enzyme design along the years will be discussed. These approaches rely on inter-residue correlations derived from microsecond time-scale Molecular Dynamics...