Develop an accessibility-based scoring module that allows to do a posteriori filtering of docking models based on the accessibility of some input residues
Describe the solution you'd like
the user can add lists of supposedly buried/accessible amino acids. Every time a supposedly buried/accessible entity is found to be accessible (resp. buried), the score increases by one. The lower the final score the better the model (i.e. more in agreement with the input data)
Develop an accessibility-based scoring module that allows to do a posteriori filtering of docking models based on the accessibility of some input residues
Describe the solution you'd like the user can add lists of supposedly buried/accessible amino acids. Every time a supposedly buried/accessible entity is found to be accessible (resp. buried), the score increases by one. The lower the final score the better the model (i.e. more in agreement with the input data)
Additional context asked from different members of the community (see for example https://ask.bioexcel.eu/t/post-filtering-for-residue-restraints/4923/2)