Predicting protein function from sequence and structural data
JD Watson, RA Laskowski, JM Thornton - Current opinion in structural …, 2005 - Elsevier
When a protein's function cannot be experimentally determined, it can often be inferred from
sequence similarity. Should this process fail, analysis of the protein structure can provide …
sequence similarity. Should this process fail, analysis of the protein structure can provide …
Enzyme function and evolution through the lens of bioinformatics
AJM Ribeiro, IG Riziotis, N Borkakoti… - Biochemical …, 2023 - portlandpress.com
Enzymes have been shaped by evolution over billions of years to catalyse the chemical
reactions that support life on earth. Dispersed in the literature, or organised in online …
reactions that support life on earth. Dispersed in the literature, or organised in online …
Inference of macromolecular assemblies from crystalline state
E Krissinel, K Henrick - Journal of molecular biology, 2007 - Elsevier
We discuss basic physical–chemical principles underlying the formation of stable
macromolecular complexes, which in many cases are likely to be the biological units …
macromolecular complexes, which in many cases are likely to be the biological units …
Segment-based stereo matching using belief propagation and a self-adapting dissimilarity measure
A Klaus, M Sormann, K Karner - 18th International Conference …, 2006 - ieeexplore.ieee.org
A novel stereo matching algorithm is proposed that utilizes color segmentation on the
reference image and a self-adapting matching score that maximizes the number of reliable …
reference image and a self-adapting matching score that maximizes the number of reliable …
Predicting functionally important residues from sequence conservation
JA Capra, M Singh - Bioinformatics, 2007 - academic.oup.com
Motivation: All residues in a protein are not equally important. Some are essential for the
proper structure and function of the protein, whereas others can be readily replaced …
proper structure and function of the protein, whereas others can be readily replaced …
Predicting protein ligand binding sites by combining evolutionary sequence conservation and 3D structure
Identifying a protein's functional sites is an important step towards characterizing its
molecular function. Numerous structure-and sequence-based methods have been …
molecular function. Numerous structure-and sequence-based methods have been …
Network analysis of protein structures identifies functional residues
G Amitai, A Shemesh, E Sitbon, M Shklar… - Journal of molecular …, 2004 - Elsevier
Identifying active site residues strictly from protein three-dimensional structure is a difficult
task, especially for proteins that have few or no homologues. We transformed protein …
task, especially for proteins that have few or no homologues. We transformed protein …
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites
Annotating active sites in enzymes is crucial for advancing multiple fields including drug
discovery, disease research, enzyme engineering, and synthetic biology. Despite the …
discovery, disease research, enzyme engineering, and synthetic biology. Despite the …
Crystal contacts as nature's docking solutions
E Krissinel - Journal of computational chemistry, 2010 - Wiley Online Library
The assumption that crystal contacts reflect natural macromolecular interactions makes a
basis for many studies in structural biology. However, the crystal state may correspond to a …
basis for many studies in structural biology. However, the crystal state may correspond to a …
Accurately predicting enzyme functions through geometric graph learning on ESMFold-predicted structures
Enzymes are crucial in numerous biological processes, with the Enzyme Commission (EC)
number being a commonly used method for defining enzyme function. However, current EC …
number being a commonly used method for defining enzyme function. However, current EC …