Topic · Molecular Biology · Biochemistry, Genetics and Molecular Biology
Machine Learning in Bioinformatics
OpenAlex topic; a paper is listed when OpenAlex scores it at least 0.5 for this topic.
489 papers
- BioinformaticsbioRxivPreprint
Refining Embedding-Based Binding Predictions by Leveraging AlphaFold2 Structures
Leopold Endres, Tobias Olenyi, Kyra Erckert…·Maria Littmann
The paper introduces bindAdjust, a method that improves binding predictions by incorporating structural information from AlphaFold2, enhancing recall for small molecule binding and expanding predictions to larger binding sites.
- BioinformaticsbioRxivPreprint
3-D structure based prediction of SUMOylation sites
Yogendra Ramtirtha, Mallur Srivatsan Madhusudhan
The paper introduces a 3-D structure-based method to predict SUMOylation sites with 81% accuracy and a Matthews Correlation Coefficient of 0.4.
DOI 10.1101/2022.08.19.504594 - BioinformaticsbioRxivPreprint
Optimizing InterProScan feature processing generates a surprisingly good protein function prediction method
Henri Tiittanen, Liisa Holm, Petri Törönen
The paper tests preprocessing methods and classifiers for protein function prediction using InterProScan data, finding that preprocessing and stacking improve performance, outperforming CAFA3 competitors.
- BioinformaticsbioRxivPreprint
From proteins to nanoparticles: domain-agnostic predictions of nanoscale interactions.
Jacob C. Saldinger, Matt Raymond, Paolo Elvati, Angela Violi
This paper introduces NeCLAS, a machine learning pipeline that predicts nanoscale interactions across domains, outperforming existing models and showing cross-domain validity.
DOI 10.1101/2022.08.09.503361 - BioinformaticsbioRxivPreprint
DBP2Vec: Predicting DNA-binding proteins directly using pre-trained protein language model
Chao Wei, Zhiwei Ye, Panru Wang, Wuyang Lan
DBP2Vec predicts DNA-binding proteins using a pre-trained protein language model, outperforming existing methods on benchmark datasets.
2 citations - BioinformaticsbioRxivPreprint
Integrating Self-Attention Transformer with Triplet Neural Networks for Protein Gene Ontology Prediction
Yiheng Zhu, Chengxin Zhang, Dong‐Jun Yu, Yang Zhang
The paper introduces ATGO, a deep-learning method that improves Gene Ontology prediction for proteins using self-attention transformers and triplet networks, achieving higher accuracy than existing methods.
- BioinformaticsbioRxivPreprint
OrganelX Web Server for Sub-Peroxisomal and Sub-Mitochondrial protein localisation
Marco Anteghini, Asmaa Haja, Vítor A. P. Martins dos Santos…·Edoardo Saccenti
The paper introduces a web server with three algorithms for predicting sub-peroxisomal and sub-mitochondrial protein localisation and PTS1 signals, aiming to accelerate research in peroxisomal biology.
- BioinformaticsbioRxivPreprint
Protein Function Prediction from Three-Dimensional Feature Representations Using Space-Filling Curves
Dmitrij Rappoport, Adrián Jinich
The paper predicts enzyme substrate selectivity using space-filling curve-based structural representations of proteins, achieving high accuracy with gradient-boosted classifiers.
- BioinformaticsbioRxivPreprint
Markonv: a novel convolutional layer with inter-positional correlations modeled
Jingyi Jessica Li, Yuhao Tan, Zheng-Yang Wen…·Ge Gao
The paper introduces Markonv, a convolutional layer that models inter-positional correlations using Markov transition matrices, showing effectiveness in analyzing omics data and decoding electrical signals.
DOI 10.1101/2022.06.09.495500 - BioinformaticsbioRxivPreprint
The substrate scopes of enzymes: a general prediction model based on machine and deep learning
Alexander Kroll, Sahasra Ranjan, Martin K. M. Engqvist, Martin J. Lercher
This paper introduces ESP, a machine learning model predicting enzyme-substrate pairs with over 90% accuracy, outperforming existing models for specific enzyme families.
- BioinformaticsbioRxivPreprint✦ In-depth digest
DeepTMHMM predicts alpha and beta transmembrane proteins using deep neural networks
Jeppe Hallgren, Konstantinos D. Tsirigos, Mads D. Pedersen…·Ole Winther
Combining an ESM-1b encoder with a conditional random field decoder, DeepTMHMM classifies alpha-helical and beta-barrel transmembrane proteins and their topology, outperforming most compared tools, including on signal-peptide cleavage sites.
1,528 citations - BioinformaticsbioRxivPreprint
Protein Language Model Performs Efficient Homology Detection
Mesih Kilinc, Kejue Jia, Robert L. Jernigan
PLAST uses protein language models and discrete cosine transforms to efficiently detect homologs with high accuracy and speed.
9 citations - BioinformaticsbioRxivPreprint
LazyPair: scalable prediction of protein-protein interactions and interaction types
Chun Shen Lim, Bikash Kumar Bhandari, Paul P. Gardner
LazyPair predicts protein-protein interactions and their types using random forests trained on residue properties, outperforming existing methods in accuracy and scalability.
DOI 10.1101/2022.02.21.481370 - BioinformaticsbioRxivPreprint
An explainable unsupervised framework for alignment-free protein classification using sequence embeddings
Wayland Yeung, Zhongliang Zhou, Liju Mathew…·Natarajan Kannan
This paper introduces an alignment-free protein classification framework using sequence embeddings to infer evolutionary relationships and functional motifs across diverse protein superfamilies.
- BioinformaticsbioRxivPreprint
Fine-Tuning Transformers For Genomic Tasks
Vlastimil Martinek, David Čechák, Katarína Grešová…·Petr Šimeček
This study evaluates Transformer models for genomic sequence classification, comparing pre-trained and from-scratch approaches on benchmark datasets.
7 citations - BioinformaticsbioRxivPreprint
Specific Peptides Predict Protein Classification.
The paper introduces a method to predict protein classification using specific peptides, achieving high precision and recall on enzyme sequences and applying it to GPCR and ZF families.
DOI 10.1101/2022.02.04.479085 - BioinformaticsbioRxivPreprint
Machine Learning for the Identification of Viral Attachment Machinery from Respiratory Virus Sequences
Stepan Demidkin, Maïa Shwarts, Arijit Chakravarty, Diane Joseph‐McCarthy
This paper develops machine learning models to identify viral spike proteins and classify respiratory virus families from sequence data with high accuracy.
DOI 10.1101/2022.01.25.477734 - BioinformaticsbioRxivPreprint
TooT-SC: Predicting Eleven Substrate Classes of Transmembrane Transport Proteins
Munira Alballa, Gregory Butler
TooT-SC predicts eleven substrate classes of transmembrane transport proteins using a combination of amino acid composition and evolutionary information, achieving high performance.
- BioinformaticsbioRxivPreprint
ProtFinder: finding subcellular locations of proteins using protein interaction networks
ProtFinder predicts multiple subcellular locations of proteins using protein interaction networks and biological priors, achieving high accuracy on held-out data.
1 citation - BioinformaticsbioRxivPreprint
fastMSA: Accelerating Multiple Sequence Alignment with Dense Retrieval on Protein Language
Liang Hong, Siqi Sun, Liangzhen Zheng…·Yu Li
fastMSA accelerates multiple sequence alignment by using a dual encoder based on a protein language model, achieving a 34-fold speed-up while maintaining homolog recall and compatibility with downstream tasks like AlphaFold.
7 citations - BioinformaticsbioRxivPreprint
SBP-SITA: A sequence-based prediction tools for S-itaconation
Laizhi Zhang, Xuanwen Wang, Lin Zhang…·Lei Li
SBP-SITA is a sequence-based tool for predicting S-itaconation sites, achieving an AUC of 0.73 using an ensemble classifier.
1 citation - BioinformaticsbioRxivPreprint
Protein Organization with Manifold Exploration and Spectral Clustering
Geoffroy Dubourg-Felonneau, Shahab Shams, Eyal Akiva, Lawrence Lee
The paper introduces an unsupervised method using Transformer models, UMAP, and spectral clustering to organize protein sequences into biologically meaningful clusters.
2 citations - BioinformaticsbioRxivPreprint
Multi-Branch-CNN: classification of ion channel interacting peptides using parallel convolutional neural networks
Jielu Yan, Bob Zhang, Mingliang Zhou…·Shirley W. I. Siu
The paper introduces Multi-Branch-CNN, a parallel CNN method for classifying ion channel interacting peptides, showing improved performance on novel sequences compared to traditional ML algorithms and other CNN variants.
- BioinformaticsbioRxivPreprint
Predicting Relative Protein Abundance via Sequence-Based Information
Gregory M. Parkes, Rob M. Ewing, Mahesan Niranjan
The paper develops machine learning models using sequence-derived features to predict protein abundance across multiple cell lines and identifies key features for this task.
DOI 10.1101/2021.11.08.467260 - BioinformaticsbioRxivPreprint
USPNet: unbiased organism-agnostic signal peptidepredictor with deep protein language model
Shenyang Chen, Qingxiong Tan, Jingchen Li, Yu Li
USPNet is a signal peptide predictor using a deep protein language model that outperforms existing methods, especially in metagenomic data without additional group information.
8 citations - Synthetic BiologybioRxivPreprint
LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure
Zichen Wang, Steven A. Combs, Ryan M. Brand…·Peter Clark
This study introduces LM-GVP, a deep learning framework combining a protein Language Model and Graph Neural Network to predict protein properties from sequence and structure, outperforming existing methods on fluorescence, protease stability, and Gene Ontology function prediction.
- BioinformaticsbioRxivPreprint
Protein-Protein Interaction Site Prediction Based on Attention Mechanism and Convolutional Neural Networks
Shuai Lu, Yuguang Li, Qiang Ma…·Shoutao Zhang
This study introduces AttCNNPPISP, a model combining attention mechanisms and CNNs to predict protein-protein interaction sites, showing improved performance over existing methods.
DOI 10.1101/2021.07.10.451856 - Synthetic BiologybioRxivPreprint✦ In-depth digest
Language models enable zero-shot prediction of the effects of mutations on protein function
Joshua Meier, Roshan Rao, Robert Verkuil…·Alexander W. Rives
A single pre-trained protein language model, ESM-1v, scores mutations zero-shot about as well as family-specific DeepSequence across 41 deep mutational scans, with no experimental labels or retraining.
631 citations