The role of side chain entropy and mutual information for improving the de novo design of Kemp eliminases KE07 and KE70

Asmit Bhowmick, Sudhir C. Sharma, Hallie Honma, Teresa Head-Gordon
2016 Physical Chemistry, Chemical Physics - PCCP  
Side chain entropy and mutual entropy information between residue pairs have been calculated for two de novo designed Kemp eliminase enzymes, KE07 and KE70, and for their most improved versions at the end of laboratory directed evolution (LDE).
doi:10.1039/c6cp03622h pmid:27374812 fatcat:bfccxmcqsfcvlpnfgt53xfqgvu