Stefan T. Arold

2 months ago | biorxiv.org | Jacob Stern |Anandsukeerthi Sandholu |Stefan T. Arold |Siba Alharbi

AbstractA general method for designing proteins with high conformational specificity is desirable for a variety of applications, including enzyme design and drug target redesign. To assess the ability of algorithms to design for conformational specificity, we introduce MotifDiv, a benchmark dataset of 200 conformational specificity design challenges. We also introduce CSDesign, an algorithm for designing proteins with high preference for a target conformation over an alternate conformation.