Title: All in one: A highly detailed rotamer library improves both accuracy and speed in the modelling of sidechains by dead-end elimination
Authors: De Maeyer, Marc ×
Desmet, Johan
Lasters, I #
Issue Date: Jan-1997
Publisher: Current Biology
Series Title: Folding & Design vol:2 issue:1 pages:53-66
Abstract: Background: About a decade ago, the concept of rotamer libraries was introduced to model sidechains given known mainchain coordinates. Since then, several groups have developed methods to handle the challenging combinatorial problem that is faced when searching rotamer libraries. To avoid a combinatorial explosion, the dead-end elimination method detects and eliminates rotamers that cannot be members of the global minimum energy conformation (GMEC). Several groups have applied and further developed this method in the fields of homology modelling and protein design.
ISSN: 1359-0278
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biochemistry, Molecular and Structural Biology Section
Electrical Engineering - miscellaneous
× corresponding author
# (joint) last author

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