Molecular Simulation analysis code accompanying "Rational optimization of a transcription factor activation domain inhibitor" by Basu et. al.
Trajectory of Tau-5_R2R3 binding 1AA is available for downloand here: https://www.dropbox.com/scl/fi/4dg06lks1v7gokxc6qfsp/Tau5R2R3_1AA.xtc?rlkey=rcg29gzqr7hn28480oj7i3spx&dl=0
Trajectory of Tau-5_R2R3 binding EPI-002 is available for downloand here: https://www.dropbox.com/scl/fi/p8ud0bsg8fjw36ixceiq1/Tau5R2R3_epi002.xtc?rlkey=xibkj620cjoq7ulnls1t4hqjk&dl=0