Summary Schrödinger’s PyMOL application includes limited tools for exploring protein structures and generating hypothetical mutants. However, many of these tools are quite simple in nature and thus have the potential to make workflows more time-consuming than is necessary and, under some circumstances, misleading. In this talk, we will look at some of these rudimentary tools in PyMOL and highlight their immediate equivalents in Schrödinger’s Maestro modelling platform. We will then show how the significantly more advanced tools integrated within Maestro allow us to go beyond PyMOL, permitting a more detailed understanding of single and multiple mutants in terms of their effect on relevant properties such as aggregation, thermal stability, and binding.
