Impact of Local Geometry on Methods for Constructing Protein Conformations

The prediction of protein structures is an important problem in molecular biology. In spite of the large efforts from the research community, and of the recent development of artificial intelligence tools specifically designed for this problem, a complete and definitive solution to the problem has not been found yet. This work is based on the observation that many tools for the prediction of protein conformations rely on both local and non-local geometrical information, even though the non-local information can be very hard to identify within the desired precision in some particular situations. For this reason, we explore in this work the effect of local geometry on methods capable of constructing protein conformations. This initial study has the final aim of devising new alternative methods where the predictions may be guided mainly by the local geometry of proteins.

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1. This work was partially supported by the CNRS (ITINERANCE and IRP projects), Lorraine University, IRISA, ANR PRCI multiBioStruct (ANR-19-CE45-0019). High Performance Computing resources were provided by the EXPLOR center at Lorraine University (2022CPMXX2687).

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2. Thematic Sessions: Short Papers