MOLECULAR DETERMINANTS UNDERLYING BINDING SPECIFICITIES OF THE ABL KINASE INHIBITORS: COMBINING ALANINE SCANNING OF BINDING HOT SPOTS WITH NETWORK ANALYSIS OF RESIDUE INTERACTIONS AND COEVOLUTION.

Quantifying binding specificity and drug resistance of protein kinase inhibitors is of fundamental importance and remains highly challenging due to complex interplay of structural and thermodynamic factors.In this work, molecular simulations and computational alanine scanning are combined with the network-based approaches to characterize molecular

Wooden decor Abstract The pathogenesis of HIV infection, and in particular the development of immunodeficiency, remains incompletely understood.Whichever intricate molecular mechanisms are at play between HIV and the host, it is evident that the organism is incapable of restricting and eradicating the invading pathogen.Both innate and adaptive immu

The program of digitalization of the economies of developed countries highlights a relatively new direction of development of the so-called cyberphysical Quilts control systems, in particular, industrial technological processes, which motivates the formulation of non-traditional tasks to ensure the security of critical information infrastructure.Th