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Title: Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap
Starting with a crystal structure of a macromolecule, computational structural modeling can help to understand the associated biological processes, structure and function, as well as to reduce the number of further experiments required to characterize a given molecular entity. In the past decade, two classes of powerful automated tools for investigating the binding properties of proteins have been developed: the protein–protein docking program ClusPro and the FTMap and FTSite programs for protein hotspot identification. These methods have been widely used by the research community by means of publicly available online servers, and models built using these automated tools have been reported in a large number of publications. Importantly, additional experimental information can be leveraged to further improve the predictive power of these approaches. Here, an overview of the methods and their biological applications is provided together with a brief interpretation of the results.  more » « less
Award ID(s):
2054251 1759472 1816314 1759277
PAR ID:
10343415
Author(s) / Creator(s):
; ; ; ; ; ; ; ;
Date Published:
Journal Name:
Acta Crystallographica Section D Structural Biology
Volume:
78
Issue:
6
ISSN:
2059-7983
Page Range / eLocation ID:
690 to 697
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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