AESOP is a tool to examine electrostatics in protein Interactions. The AESOP algorithm uses PDB2PQR and Adaptive Poisson-Boltzmann Solver to compute grid-based electrostatic potentials. It can also quantitatively compare the similarity of sets of grid-based electrostatic potentials and generate ensembles of electrostatic potentials for a library of mutants to quantify the effects of disturbances.
Proteomics; Protein structure analysis
Harrison RES, Mohan RR, Gorham RD Jr, Kieslich CA, Morikis D "AESOP: A Python Library for Investigating Electrostatics in Protein Interactions." Biophys J. 2017 May 9;112(9):1761-1766. https://doi.org/10.1016/j.bpj.2017.04.005
PMID: 28494947
PMCID: PMC5425408
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