PoPMuSiC, rationally designing pointmutations in protein structures
Author(s) -
Jean Marc Kwasigroch,
Dimitri Gilis,
Yves Dehouck,
Marianne Rooman
Publication year - 2002
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/18.12.1701
Subject(s) - point mutation , sequence (biology) , mutation , protein folding , computational biology , folding (dsp implementation) , computer science , point (geometry) , protein structure , genetics , biology , gene , mathematics , biochemistry , engineering , geometry , electrical engineering
PoPMuSiC is an efficient tool for rational computer-aided design of single-site mutations in proteins and peptides. Two types of queries can be submitted. The first option allows to estimate the changes in folding free energy for specific point mutations given by the user. In the second option, all possible point mutations in a given protein or protein region are performed and the most stabilizing or destabilizing mutations, or the neutral mutations with respect to thermodynamic stability, are selected. For each sequence position or secondary structure the deviation from the most stable sequence is moreover evaluated, which helps to identify the most suitable sites for the introduction of mutations.
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