HotSpot Wizard 2.0

HotSpot Wizard 2.0

software

Use of the result by another entity is possible without acquiring a license in some cases

The licensor does not require a license fee for the result

Štourač Jan
Bendl Jaroslav, Ing., Ph.D.
Chovancová Eva, Mgr., Ph.D.
Musil Miloš, Ing., Ph.D. (DIFS)
Brezovský Jan
Damborský Jiří, prof. Mgr., Dr. (UMEL)

protein engineering; smart library design; computational mutagenesis; hotspot
prediction

HotSpot Wizard is a web server for automatic identification of hot spots for
engineering of substrate specificity, activity or entantioselectivity of enzymes
and for annotation of protein structures. HSW 2.0 integrates 3 databases and 18
computational tools, including our in-house tool for analysis of protein tunnels
and channels Caver 3.0. In the output, users can explore hot spots based on 4
protein engineering strategies: (i) functional hot spots represented by highly
mutable residues located in the active site pocket or access tunnels, (ii)
stability hot spots represented by flexible residues, (iii) stability hot spots
identified by back-to-consensus approach, and (iv) correlated hot spots
represented by pairs of coevolving residues that modulate enzyme activity and
selectivity.

Nástroj je dostupný na internetové adrese:http://loschmidt.chemi.muni.cz/hotspotwizard2

Výzkum pokročilých metod ICT a jejich aplikace, BUT, Vnitřní projekty VUT, FIT-S-14-2299, start: 2014-01-01, end: 2016-12-31, completed

Information and Database Systems Research Group (RG IS)

Department of Information Systems (DIFS)