AIMC Topic: Proteins

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ProLanGO: Protein Function Prediction Using Neural Machine Translation Based on a Recurrent Neural Network.

Molecules (Basel, Switzerland)
With the development of next generation sequencing techniques, it is fast and cheap to determine protein sequences but relatively slow and expensive to extract useful information from protein sequences because of limitations of traditional biological...

Systematic Identification of Machine-Learning Models Aimed to Classify Critical Residues for Protein Function from Protein Structure.

Molecules (Basel, Switzerland)
Protein structure and protein function should be related, yet the nature of this relationship remains unsolved. Mapping the critical residues for protein function with protein structure features represents an opportunity to explore this relationship,...

HashGO: hashing gene ontology for protein function prediction.

Computational biology and chemistry
Gene ontology (GO) is a standardized and controlled vocabulary of terms that describe the molecular functions, biological roles and cellular locations of proteins. GO terms and GO hierarchy are regularly updated as the accumulated biological knowledg...

Manipulation of Biomolecule-Modified Liquid-Metal Blobs.

Angewandte Chemie (International ed. in English)
Soft and deformable liquid metals (LMs) are building components in various systems related to uncertain and dynamic task environments. Herein we describe the development of a biomolecule-triggered external-manipulation method involving LM conjugates ...

Demystifying Multitask Deep Neural Networks for Quantitative Structure-Activity Relationships.

Journal of chemical information and modeling
Deep neural networks (DNNs) are complex computational models that have found great success in many artificial intelligence applications, such as computer vision1,2 and natural language processing.3,4 In the past four years, DNNs have also generated p...

Improved protein contact predictions with the MetaPSICOV2 server in CASP12.

Proteins
In this paper, we present the results for the MetaPSICOV2 contact prediction server in the CASP12 community experiment (http://predictioncenter.org). Over the 35 assessed Free Modelling target domains the MetaPSICOV2 server achieved a mean precision ...

Revealing protein functions based on relationships of interacting proteins and GO terms.

Journal of biomedical semantics
BACKGROUND: In recent years, numerous computational methods predicted protein function based on the protein-protein interaction (PPI) network. These methods supposed that two proteins share the same function if they interact with each other. However,...

Factors analysis of protein O-glycosylation site prediction.

Computational biology and chemistry
To improve the prediction accuracy of O-glycosylation sites, and analyze the structure of the O-glycosylation sites, factor analysis based prediction is proposed in this study. Our studies show that factor analysis strongly boosts machine learning al...

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.

Journal of computer-aided molecular design
We present a novel optimization approach to train a free-shape distance-dependent protein-ligand scoring function called Convex-PL. We do not impose any functional form of the scoring function. Instead, we decompose it into a polynomial basis and ded...

Deep learning methods for protein torsion angle prediction.

BMC bioinformatics
BACKGROUND: Deep learning is one of the most powerful machine learning methods that has achieved the state-of-the-art performance in many domains. Since deep learning was introduced to the field of bioinformatics in 2012, it has achieved success in a...