Protein function prediction: towards integration of similarity metrics

S Erdin, AM Lisewski, O Lichtarge - Current opinion in structural biology, 2011 - Elsevier
Genomic centers discover increasingly many protein sequences and structures, but not
necessarily their full biological functions. Thus, currently, less than one percent of proteins …

Evolutionary trace for prediction and redesign of protein functional sites

A Wilkins, S Erdin, R Lua, O Lichtarge - Computational Drug Discovery …, 2012 - Springer
The evolutionary trace (ET) is the single most validated approach to identify protein
functional determinants and to target mutational analysis, protein engineering and drug …

Evolution: a guide to perturb protein function and networks

O Lichtarge, A Wilkins - Current opinion in structural biology, 2010 - Elsevier
Protein interactions give rise to networks that control cell fate in health and disease;
selective means to probe these interactions are therefore of wide interest. We discuss here …

Graph sharpening plus graph integration: a synergy that improves protein functional classification

H Shin, AM Lisewski, O Lichtarge - Bioinformatics, 2007 - academic.oup.com
Motivation: Predicting protein function is a central problem in bioinformatics, and many
approaches use partially or fully automated methods based on various combination of …

Prediction of enzyme function based on 3D templates of evolutionarily important amino acids

DM Kristensen, RM Ward, AM Lisewski, S Erdin… - BMC …, 2008 - Springer
Background Structural genomics projects such as the Protein Structure Initiative (PSI) yield
many new structures, but often these have no known molecular functions. One approach to …

Discovering structural motifs using a structural alphabet: application to magnesium-binding sites

M Dudev, C Lim - BMC bioinformatics, 2007 - Springer
Background For many metalloproteins, sequence motifs characteristic of metal-binding sites
have not been found or are so short that they would not be expected to be metal-specific …

Prediction and experimental validation of enzyme substrate specificity in protein structures

SR Amin, S Erdin, RM Ward, RC Lua… - Proceedings of the …, 2013 - National Acad Sciences
Structural Genomics aims to elucidate protein structures to identify their functions.
Unfortunately, the variation of just a few residues can be enough to alter activity or binding …

EMoMiS: a pipeline for epitope-based molecular mimicry search in protein structures with applications to SARS-CoV-2

V Stebliankin, P Baral, C Balbin, J Nunez-Castilla… - BioRxiv, 2022 - biorxiv.org
Motivation Epitope-based molecular mimicry occurs when an antibody cross-reacts with two
different antigens due to structural and chemical similarities. Molecular mimicry between …

The MASH pipeline for protein function prediction and an algorithm for the geometric refinement of 3D motifs

BY Chen, VY Fofanov, DH Bryant… - Journal of …, 2007 - liebertpub.com
The development of new and effective drugs is strongly affected by the need to identify drug
targets and to reduce side effects. Resolving these issues depends partially on a thorough …

Rapid detection of similarity in protein structure and function through contact metric distances

AM Lisewski, O Lichtarge - Nucleic Acids Research, 2006 - academic.oup.com
The characterization of biological function among newly determined protein structures is a
central challenge in structural genomics. One class of computational solutions to this …