ProDy 2.0: increased scale and scope after 10 years of protein dynamics modelling with Python

A Summary: ProDy, an integrated application programming interface developed for modelling and analysing protein dynamics, has significantly evolved in recent years in response to the growing data and needs of the computational biology community. We present major developments that led to ProDy 2.0: (i) improved interfacing with databases and parsing new file formats, (ii) SignDy for signature dynamics of protein families, (iii) CryoDy for collective dynamics of supramolecular systems using cryo-EM density maps and (iv) essential site scanning analysis for identifying sites essential to modulating global dynamics.

Automated summary

ProDy, an integrated application programming interface developed for modelling and analysing protein dynamics, has significantly evolved in response to the growing data and needs of the computational biology community. The major developments that led to ProDy 2.0 include improved interfacing with databases, signature dynamics, collective dynamics using cryo-EM density maps, and essential site scanning analysis for identifying sites essential to modulating global dynamics.