The POKY suite: The revolutionized platform for biomolecular studies.

Abstract

We develop the POKY suite which is the revolutionized platform with boundless possibilities for advancing research and technology development in biomolecular studies. Now, the new software suite “POKY” is the core of the Integrative NMR platform providing a fully integrated professional-grade cyberinfrastructure. The next level automation and visualization maximizing the quality of user experience and productivity will be enabled by the ¯full-stack development’ of artificial intelligence (AI), machine learning (ML), computer vision (CV), and other modern technologies. As well as routine automated studies on well-behaving proteins, it also keeps up with the recent advances in the field such as 13C-detected solution NMR for intrinsically disordered proteins (IDPs) and 1H/13C/19F detected solid-state NMR for large, insoluble and membrane proteins. Different level users will be able to use different interface tools such as step-by-step guided automations (POKY Automation Guide), high-level push buttons (POKY Extensions), intermediate-level Jupyter notebooks (POKY Notebooks), and low-level customizable scripts (POKY Notepad). The POKY suite is available from https://poky.clas.ucdenver.edu. Supported by NSF DBI-2051595, DBI-1902076 and University of Colorado Denver.