User:John Karanicolas/Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations

From Proteopedia

Predicted distinct transient pocket containing structures for Bcl-2, Bcl-xL, and Mcl-1.

These models were created using the pocket optimization process described in Johnson and Karanicolas (PLoS Computational Biology). Exemplars describing the pocket are included, as described in "Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations" Johnson and Karanicolas (in review). Further details are available in these works.

Image:Bcl2 1.pdb Image:Bcl2 2.pdb Image:Bcl2 3.pdb Image:Bclxl 1.pdb Image:Bclxl 2.pdb Image:Mcl1 1.pdb Image:Mcl1 2.pdb Image:Mcl1 3.pdb