Predicting local structural changes that result from point mutations.

By V. De Filippis, Christopher Sander, G. Vriend. 1994

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A series of PDB-related databanks for everyday needs (2014, methodology): “We therefore made one databank in which we computationally filled in the missing side chains using the rotamer library that is also at the basis of WHAT IF’s homology modeling module (38).”
A New Generation of Crystallographic Validation Tools for the Protein Data Bank (2011, unknown): “Most H atoms can be placed by simple geometry with adequate accuracy, but the orientations of groups such as OH,”
Predict impact of single amino acid change upon protein structure (2012, background): “Using 83 X-ray mutant structures from 13 classes of proteins, an early work pioneered the prediction of local structural changes by expert rules operating on position-dependent rota-mers [10].”