AIMC Topic: Computational Biology

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High-accuracy protein model quality assessment using attention graph neural networks.

Briefings in bioinformatics
Great improvement has been brought to protein tertiary structure prediction through deep learning. It is important but very challenging to accurately rank and score decoy structures predicted by different models. CASP14 results show that existing qua...

PFresGO: an attention mechanism-based deep-learning approach for protein annotation by integrating gene ontology inter-relationships.

Bioinformatics (Oxford, England)
MOTIVATION: The rapid accumulation of high-throughput sequence data demands the development of effective and efficient data-driven computational methods to functionally annotate proteins. However, most current approaches used for functional annotatio...

EVlncRNA-Dpred: improved prediction of experimentally validated lncRNAs by deep learning.

Briefings in bioinformatics
Long non-coding RNAs (lncRNAs) played essential roles in nearly every biological process and disease. Many algorithms were developed to distinguish lncRNAs from mRNAs in transcriptomic data and facilitated discoveries of more than 600 000 of lncRNAs....

CCSynergy: an integrative deep-learning framework enabling context-aware prediction of anti-cancer drug synergy.

Briefings in bioinformatics
Combination therapy is a promising strategy for confronting the complexity of cancer. However, experimental exploration of the vast space of potential drug combinations is costly and unfeasible. Therefore, computational methods for predicting drug sy...

DeepHomo2.0: improved protein-protein contact prediction of homodimers by transformer-enhanced deep learning.

Briefings in bioinformatics
Protein-protein interactions play an important role in many biological processes. However, although structure prediction for monomer proteins has achieved great progress with the advent of advanced deep learning algorithms like AlphaFold, the structu...

EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022.

Nucleic acids research
The European Molecular Biology Laboratory's European Bioinformatics Institute (EMBL-EBI) is one of the world's leading sources of public biomolecular data. Based at the Wellcome Genome Campus in Hinxton, UK, EMBL-EBI is one of six sites of the Europe...

Application of in Silico Technologies for Drug Target Discovery and Pharmacokinetic Analysis.

Chemical & pharmaceutical bulletin
Drug discovery is researched and developed through many processes, but its overall success rate is extremely low, requiring a very long period of development and considerable costs. Clearly, there is a need to reduce research and development costs by...

Illuminating the "Twilight Zone": Advances in Difficult Protein Modeling.

Methods in molecular biology (Clifton, N.J.)
Homology modeling was long considered a method of choice in tertiary protein structure prediction. However, it used to provide models of acceptable quality only when templates with appreciable sequence identity with a target could be found. The thres...

Challenges in antibody structure prediction.

mAbs
Advances in structural biology and the exponential increase in the amount of high-quality experimental structural data available in the Protein Data Bank has motivated numerous studies to tackle the grand challenge of predicting protein structures. I...

VdistCox: Vertically distributed Cox proportional hazards model with hyperparameter optimization.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Vertically partitioned data is distributed data in which information about a patient is distributed across multiple sites. In this study, we propose a novel algorithm (referred to as VdistCox) for the Cox proportional hazards model (Cox model), which...