AIMC Topic: Proteins

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Chances and challenges of machine learning-based disease classification in genetic association studies illustrated on age-related macular degeneration.

Genetic epidemiology
Imaging technology and machine learning algorithms for disease classification set the stage for high-throughput phenotyping and promising new avenues for genome-wide association studies (GWAS). Despite emerging algorithms, there has been no successfu...

Moonlighting Proteins in the Fuzzy Logic of Cellular Metabolism.

Molecules (Basel, Switzerland)
The numerous interconnected biochemical pathways that make up the metabolism of a living cell comprise a fuzzy logic system because of its high level of complexity and our inability to fully understand, predict, and model the many activities, how the...

Predicting protein model correctness in Coot using machine learning.

Acta crystallographica. Section D, Structural biology
Manually identifying and correcting errors in protein models can be a slow process, but improvements in validation tools and automated model-building software can contribute to reducing this burden. This article presents a new correctness score that ...

Community Assessment of the Predictability of Cancer Protein and Phosphoprotein Levels from Genomics and Transcriptomics.

Cell systems
Cancer is driven by genomic alterations, but the processes causing this disease are largely performed by proteins. However, proteins are harder and more expensive to measure than genes and transcripts. To catalyze developments of methods to infer pro...

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.

Journal of chemical theory and computation
Machine learning encompasses tools and algorithms that are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting valuable information ...

Pair Potentials as Machine Learning Features.

Journal of chemical theory and computation
Atom pairwise potential functions make up an essential part of many scoring functions for protein decoy detection. With the development of machine learning (ML) tools, there are multiple ways to combine potential functions to create novel ML models a...

Protein-Protein Interactions Efficiently Modeled by Residue Cluster Classes.

International journal of molecular sciences
Predicting protein-protein interactions (PPI) represents an important challenge in structural bioinformatics. Current computational methods display different degrees of accuracy when predicting these interactions. Different factors were proposed to h...

Identification of ligand-binding residues using protein sequence profile alignment and query-specific support vector machine model.

Analytical biochemistry
Information embedded in ligand-binding residues (LBRs) of proteins is important for understanding protein functions. How to accurately identify the potential ligand-binding residues is still a challenging problem, especially only protein sequence is ...

Biosystems Design by Machine Learning.

ACS synthetic biology
Biosystems such as enzymes, pathways, and whole cells have been increasingly explored for biotechnological applications. However, the intricate connectivity and resulting complexity of biosystems poses a major hurdle in designing biosystems with desi...

Predicting protein subcellular location with network embedding and enrichment features.

Biochimica et biophysica acta. Proteins and proteomics
The subcellular location of a protein is highly related to its function. Identifying the location of a given protein is an essential step for investigating its related problems. Traditional experimental methods can produce solid determination. Howeve...