Computational and Structural Biotechnology Journal

Papers
(The TQCC of Computational and Structural Biotechnology Journal is 10. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-12-01 to 2025-12-01.)
ArticleCitations
WUREN: Whole-modal union representation for epitope prediction277
Agreement and disagreement in pediatric functional neurological symptom disorders: Comparing patient reported outcome measures (PROMs) and clinician assessments256
Corrigendum to “Cryo-EM reveals architectural diversity in active rotavirus particles” [Comput. Struct. Biotechnol. J. 17 (2019) 1178–1183]186
In silico and in vitro approaches allow the identification of the Prosystemin molecular network161
Identification and biophysical characterization of epitope atlas of Porcine Reproductive and Respiratory Syndrome Virus158
Towards accurate and efficient diagnoses in nephropathology: An AI-based approach for assessing kidney transplant rejection156
Artificial intelligence predictive system of individual survival rate for lung adenocarcinoma140
Biomarker discovery process at binomial decision point (2BDP): Analytical pipeline to construct biomarker panel126
Cell segmentation and representation with shape priors115
Comprehensive exploration of JQ1 and GSK2801 targets in breast cancer using network pharmacology and molecular modeling approaches114
Optimizing the Illumina COVIDSeq laboratorial and bioinformatics pipeline on thousands of samples for SARS-CoV-2 Variants of Concern tracking102
What remains from living cells in bacterial lysate-based cell-free systems93
Entropy-extreme model for predicting the development of cyber epidemics at early stages93
MUG: A mutation overview of GPCR subfamily A17 receptors92
Predicting zeta potential of liposomes from their structure: A nano-QSPR model for DOPE, DC-Chol, DOTAP, and EPC formulations89
The second intracellular loop of the yeast Trk1 potassium transporter is involved in regulation of activity, and interaction with 14–3-3 proteins86
Predictive dynamic control accurately maps the design space for 2,3-butanediol production82
The balance between photosynthesis and respiration explains the niche differentiation between Crocosphaera and Cyanothece76
Advanced biokinetic and hydrodynamic modelling to support and optimize the design of full-scale high rate algal ponds73
Evidence of a SARS-CoV-2 double Spike mutation D614G/S939F potentially affecting immune response of infected subjects71
NGS allele counts versus called genotypes for testing genetic association70
Network-based prioritization of cancer biomarkers by phenotype-driven module detection and ranking68
An integrated protein structure fitness scoring approach for identifying native-like model structures67
Multi-omics landscape and clinical significance of a SMAD4-driven immune signature: Implications for risk stratification and frontline therapies in pancreatic cancer67
Improved inter-residue contact prediction via a hybrid generative model and dynamic loss function67
dsCellNet: A new computational tool to infer cell–cell communication networks in the developing and aging brain67
Streptomyces coelicolor macrodomain hydrolase SCO6735 cleaves thymidine-linked ADP-ribosylation of DNA64
UPIMAPI, reCOGnizer and KEGGCharter: Bioinformatics tools for functional annotation and visualization of (meta)-omics datasets63
A novel exosome-derived prognostic signature and risk stratification for breast cancer based on multi-omics and systematic biological heterogeneity63
Free energy landscape of the PI3Kα C-terminal activation63
Discovery of a novel marine Bacteroidetes with a rich repertoire of carbohydrate-active enzymes62
Integrated metabolomics and network analysis reveal changes in lipid metabolisms of tripterygium glycosides tablets in rats with collagen-induced arthritis60
CKATool: A clinical kinematic analysis toolbox for upper limb rehabilitation58
Computation-aided studies related to the induction of specialized metabolite biosynthesis in microbial co-cultures: An introductory overview58
Nextcast: A software suite to analyse and model toxicogenomics data57
Using molecular dynamics simulations to interrogate T cell receptor non-equilibrium kinetics56
Automated machine learning in nanotoxicity assessment: A comparative study of predictive model performance54
EthnoHERBS: Harnessing traditional herbal knowledge for biodiversity conservation and innovative health solutions53
cPEPmatch Webserver: A comprehensive tool and database to aid rational design of cyclic peptides for drug discovery53
Design rules applied to silver nanoparticles synthesis: A practical example of machine learning application.53
A drug repurposing method based on inhibition effect on gene regulatory network53
Altered heme metabolism and hemoglobin concentration due to empirical antibiotics-induced gut dysbiosis in preterm infants52
Predicting cellular adaptation proteins dependent on eIF2α regulation under stress conditions: Physiological and pathophysiological implications in neuronal function52
The influence of HIV sense and antisense transcripts on stochastic HIV transcription and reactivation52
A miRNA signature linked to high lipoprotein (a) and coronary calcification in familial hypercholesterolaemia52
Ranking pre-trained speech embeddings in Parkinson's disease detection: Does Wav2Vec 2.0 outperform its 1.0 version across speech modes and languages?52
Towards predicting implant-induced fibrosis: A standardized network model of macrophage-fibroblast interactions52
Radiomic clustering using graph network techniques coupled with unbalanced optimal transport51
Corrigendum to “Maternal Clostridium butyricum supplementation during late gestation and lactation enhances gut bacterial communities, milk quality, and reduces piglet diarrhea” [Comput Struct Biotech50
Deep5mC: Predicting 5-methylcytosine (5mC) methylation status using a deep learning transformer approach50
Evolution is in the details: Regulatory differences in modern human and Neanderthal49
Phylogenetic tree-based amino acid sequence generation for proteomics data analysis of unknown species48
MMRT: MultiMut Recursive Tree for predicting functional effects of high-order protein variants from low-order variants48
Gut microbiome enterotypes and temporal variations during a six-month inulin-supplemented weight loss randomized controlled trial in Thai children with obesity47
DiabetesOmic: A comprehensive multi-omics diabetes database46
From sequence to function through structure: Deep learning for protein design44
macpie: Scalable workflow for high-throughput transcriptomic profiling44
Consistencies and contradictions in different polymer models of chromatin architecture44
VTAM: A robust pipeline for validating metabarcoding data using controls44
Statistical methods for Mendelian randomization in genome-wide association studies: A review43
Structural elucidation of four fungal hydrophobins belonging to classes I and II: Results from Alphafold and accelerated molecular dynamics simulations43
Identification of (Z)-2-benzylidene-dihydroimidazothiazolone derivatives as tyrosinase inhibitors: Anti-melanogenic effects and in silico studies43
From latent dynamics to data geometry: Nonlinear diffusion modelling for protein structures42
Data pre-processing for analyzing microbiome data – A mini review41
Computational fluid dynamics modeling and simulation of nanoparticle-tumor interaction: Systematic literature review41
Prediction of protein-ligand binding affinity with deep learning40
DIPAN: Detecting personalized intronic polyadenylation derived neoantigens from RNA sequencing data40
Identification of genetic basis of brain imaging by group sparse multi-task learning leveraging summary statistics40
Contagious infection-free medical interaction system with machine vision controlled by remote hand gesture during an operation39
Prognostic iron-metabolism signature robustly stratifies single-cell characteristics of hepatocellular carcinoma39
Computational approaches in rheumatic diseases – Deciphering complex spatio-temporal cell interactions39
ECGA: A web server to explore and analyze extrachromosomal gene in cancer38
Inference of essential genes in Brugia malayi and Onchocerca volvulus by machine learning and the implications for discovering new interventions38
Genome-scale models as a vehicle for knowledge transfer from microbial to mammalian cell systems38
Literature-based translation from synthetic lethality screening into therapeutics targets: CD82 is a novel target for KRAS mutation in colon cancer38
Impact of an irreversible β-galactosylceramidase inhibitor on the lipid profile of zebrafish embryos38
PS-GO parametric protein search engine38
Identifying novel SMYD3 interactors on the trail of cancer hallmarks38
Augusta: From RNA‐Seq to gene regulatory networks and Boolean models38
Empirical comparison and recent advances of computational prediction of hormone binding proteins using machine learning methods37
Survival estimation in patients with stomach and esophageal carcinoma using miRNA expression profiles37
NaCTR: Natural product-derived compound-based drug discovery pipeline from traditional oriental medicine by search space reduction36
Whole-genome analysis of carbapenem-resistant Acinetobacter baumannii from clinical isolates in Southern Thailand36
PLO3S: Protein LOcal Surficial Similarity Screening36
Bacillus subtilis spores displaying RBD domain of SARS-CoV-2 spike protein36
OncoProExp: An interactive shiny web application for comprehensive cancer proteomics and phosphoproteomics analysis35
SbD4Skin by EosCloud: Integrating multi-view molecular representation for predicting skin sensitization, irritation, and acute dermal toxicity35
SSRTool: A web tool for evaluating RNA secondary structure predictions based on species-specific functional interpretability35
Multicopper oxidases with laccase-ferroxidase activity: Classification and study of ferroxidase activity determinants in a member from Heterobasidion annosum s. l.35
Review of protein structure-based analyses that illuminate plant stress mechanisms35
The World of GPCR dimers – Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements35
Scale bar of aging trajectories for screening personal rejuvenation treatments35
Machine learning in metastatic cancer research: Potentials, possibilities, and prospects35
Performance of a HER2 testing algorithm tailored for urothelial bladder cancer: A Bi-centre study35
Beyond the Scalpel: Assessing ChatGPT's potential as an auxiliary intelligent virtual assistant in oral surgery35
Public Omics Explorer (POE): Enabling integrative semantic search across GEO omics datasets based on PubMed publications34
Over time analysis of the codon usage of SARS-CoV-2 and its variants34
Protein design accelerates the development and application of optogenetic tools34
IsomiRome analysis reveals dysregulation of 5’ isomiRs during SARS-CoV-2 infection34
A universal pipeline MosaicProt enables large-scale modeling and detection of chimeric protein sequences for studies on programmed ribosomal frameshifting34
Computationally derived structural insights into Rare Earth selectivity in lanmodulin and its variants34
PCLDA: An interpretable cell annotation tool for single-cell RNA-sequencing data based on simple statistical methods33
Single-cell multiome characterizing intercellular communication and intracellular regulation of epithelium and mesenchymal during secondary palate development in mice33
Thresholding Gini variable importance with a single-trained random forest: An empirical Bayes approach32
Co-expression of immune checkpoints in glioblastoma revealed by single-nucleus RNA sequencing and spatial transcriptomics32
Self-supervised domain adaptation of protein language model based solely on positive enzyme-reaction pairs32
YTLR: Extracting yeast transcription factor-gene associations from the literature using automated literature readers32
Strengths and limitations of web servers for the modeling of TCRpMHC complexes32
Population genomic analyses reveal evidence for limited recombination in the superbug Candida auris in nature32
Pleiotropic expression quantitative trait loci are enriched in enhancers and transcription factor binding sites and impact more genes32
Cat-E: A comprehensive web tool for exploring cancer targeting strategies32
A cellulose-degrading Bacillus altitudinis from Tibetan pigs improved the in vitro fermentation characteristics of wheat bran32
Prediction of HER2-positive breast cancer recurrence and metastasis risk from histopathological images and clinical information via multimodal deep learning32
Machine learning reveals STAT motifs as predictors for GR-mediated gene repression31
Mutation density analyses on long noncoding RNA reveal comparable patterns to protein-coding RNA and prognostic value31
Dual guide RNA-mediated concurrent C&G-to-T&A and A&T-to-G&C conversions using CRISPR base editors31
Structural studies of protein–nucleic acid complexes: A brief overview of the selected techniques31
Drug repurposing in psoriasis, performed by reversal of disease-associated gene expression profiles31
ImmiR: A database of microRNAs associated with immune checkpoints and infiltrates31
Downregulation of ABLIM3 confers to the metastasis of neuroblastoma via regulating the cell adhesion molecules pathway30
Alterations in 3D chromatin organization contribute to tumorigenesis of EGFR-amplified glioblastoma30
Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations30
The discovery of hidden guanylate cyclases (GCs) in the Homo sapiens proteome30
Optimizing fountain codes for DNA data storage30
Targeted removal of mitochondrial DNA from mouse and human extrachromosomal circular DNA with CRISPR-Cas930
Valproate-coenzyme A conjugate blocks opening of receptor binding domains in the spike trimer of SARS-CoV-2 through an allosteric mechanism29
Generic and queryable data integration schema for transcriptomics and epigenomics studies29
Interplay of starch debranching enzyme and its inhibitor is mediated by Redox-Activated SPL transcription factor29
The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations29
Corrigendum to “TREAT: Therapeutic RNAs exploration inspired by artificial intelligence technology” [Comput Struct Biotechnol J 20 (2022) 5680–5689]29
HIV infection detection using CRISPR/Cas systems: Present and future prospects29
Deep learning of antibody epitopes using positional permutation vectors29
A DNA-based non-infectious replicon system to study SARS-CoV-2 RNA synthesis28
Detecting differentially expressed circular RNAs from multiple quantification methods using a generalized linear mixed model28
Concentration-dependent thermodynamic analysis of the partition process of small ligands into proteins28
Population-scale genotyping of structural variation in the era of long-read sequencing28
SPARC: Structural properties associated with residue constraints28
Proteome-wide prediction and analysis of the Cryptosporidium parvum protein–protein interaction network through integrative methods28
Corrigendum to “Coupling the endophytic microbiome with the host transcriptome in olive roots” [Comput. Struct. Biotechnol. J. 19 (2021) 4777–4789]28
TRRAP-mediated acetylation on Sp1 regulates adult neurogenesis28
MSPJ: Discovering potential biomarkers in small gene expression datasets via ensemble learning28
The seen and the unseen: Molecular classification and image based-analysis of gastrointestinal cancers28
Homologous cardiac calcium pump regulators phospholamban and sarcolipin adopt distinct oligomeric states in the membrane28
CNN6mA: Interpretable neural network model based on position-specific CNN and cross-interactive network for 6mA site prediction27
New insights empowered by single-cell sequencing: From neural crest to enteric nervous system27
A computational algorithm to assess the physiochemical determinants of T cell receptor dissociation kinetics27
Structural insights into apoptotic regulation of human Bfk as a novel Bcl-2 family member27
Unitig-centered pan-genome machine learning approach for predicting antibiotic resistance and discovering novel resistance genes in bacterial strains27
Reprogramming landscape highlighted by dynamic transcriptomes in therapy-induced neuroendocrine differentiation27
Histone variants and chromatin structure, update of advances27
Evolutionary progression of collective mutations in Omicron sub-lineages towards efficient RBD-hACE2: Allosteric communications between and within viral and human proteins27
Protposer: The web server that readily proposes protein stabilizing mutations with high PPV26
Analyzing the human gut mycobiome – A short guide for beginners26
Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform26
Targeting non-structural proteins of Hepatitis C virus for predicting repurposed drugs using QSAR and machine learning approaches26
Role of Bmal1 in mediating the cholinergic system to regulate the behavioral rhythm of nocturnal marine molluscs26
Mysteries of gene regulation: Promoters are not the sole triggers of gene expression26
Modeling approaches for probing cross-feeding interactions in the human gut microbiome26
scDemultiplex: An iterative beta-binomial model-based method for accurate demultiplexing with hashtag oligos26
Enhancing glucose level prediction of ICU patients through hierarchical modeling of irregular time-series25
Integrative geno-metabolomics of tenasserim turmeric (Curcuma candida (Wall.) Techapr. & Škorničk.) with insights into volatile biosynthesis across the turmeric genus25
PgxSAVy: A tool for comprehensive evaluation of variant peptide quality in proteogenomics – catching the (un)usual suspects25
Advances in gut microbiota functions in inflammatory bowel disease: Dysbiosis, management, cytotoxicity assessment, and therapeutic perspectives25
Fine-tuning of conditional Transformers improves in silico enzyme prediction and generation25
Differential prolyl hydroxylation by six Physcomitrella prolyl-4 hydroxylases25
Comparative analysis of amino acid auxotrophies and peptidase profiles in non-dysbiotic and dysbiotic small intestinal microbiomes25
Enhancing detection of epileptic seizures using transfer learning and EEG brain activity signals25
Structure-based identification of HNF4α agonists: Rosmarinic acid as a promising candidate for NAFLD treatment25
Structure analysis of human gut microbiota associated with single-celled gut protists using Next-Generation Sequencing of 16S and 18S rRNA genes24
Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability24
Fantastic genes and where to find them expressed in CHO24
EquiRank: Improved protein-protein interface quality estimation using protein language-model-informed equivariant graph neural networks24
Dynamical features of smooth muscle actin pathological mutants: The arginine-257(258)-Cysteine cases24
Post-processing enhances protein secondary structure prediction with second order deep learning and embeddings24
In-silico proteomic analysis of the role of IL-4 and IL-10 in IVD degeneration: Protein-protein interaction networks for candidate prioritisation24
Plasma cell-free extrachromosomal circular DNA is a molecular hallmark of preeclampsia24
INSIGHT: An integrated framework for safe and sustainable chemical and material assessment24
Ion and water permeation through claudin-10b and claudin-15 paracellular channels24
Optimization of regulatory DNA with active learning24
Discovery of C-12 dithiocarbamate andrographolide analogues as inhibitors of SARS-CoV-2 main protease: In vitro and in silico studies23
Evaluation of the impact of printing and embroidery parameters in the process of obtaining utility comfort sensors used in protective clothing dedicated to premature babies23
New targets for the treatment of ulcerative colitis: Gut microbiota and its metabolites23
TOAST: A novel method for identifying topologically associated domains based on graph auto-encoders and clustering23
iResNetDM: An interpretable deep learning approach for four types of DNA methylation modification prediction23
Short-chain fatty acids reprogram metabolic profiles with the induction of reactive oxygen species production in human colorectal adenocarcinoma cells23
HELLS modulates the stemness of intrahepatic cholangiocarcinoma through promoting senescence-associated secretory phenotype23
The potential of Real-Time volume-rendered 3D Imaging in immersive virtual-reality (VR) for surgical planning in infants with congenital thoracic malformation (CTM)23
MNNMDA: Predicting human microbe-disease association via a method to minimize matrix nuclear norm23
CNNSplice: Robust models for splice site prediction using convolutional neural networks23
A gap analysis of UK biobank publications reveals SNPs associated with intrinsic subtypes of breast cancer23
Determining key residues of engineered scFv antibody variants with improved MMP-9 binding using deep sequencing and machine learning23
SARS-CoV-2 mutations acquired during serial passage in human cell lines are consistent with several of those found in recent natural SARS-CoV-2 variants23
A novel deep learning method for large-scale analysis of bone marrow adiposity using UK Biobank Dixon MRI data23
Molecular dynamics analysis of the structural properties of the transglutaminases of Kutzneria albida and Streptomyces mobaraensis23
EpiCas-DL: Predicting sgRNA activity for CRISPR-mediated epigenome editing by deep learning23
MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction23
AmiCa: Atlas of miRNA-gene correlations in cancer23
RNA secondary structure prediction by conducting multi-class classifications22
IBPred: A sequence-based predictor for identifying ion binding protein in phage22
Relative flux trade-offs and optimization of metabolic network functionalities22
Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein22
Recognition of immune-related tumor antigens and immune subtypes for mRNA vaccine development in lung adenocarcinoma22
Discovery of a new generation of angiotensin receptor blocking drugs: Receptor mechanisms and in silico binding to enzymes relevant to SARS-CoV-222
Structural and functional mapping of ars gene cluster in Deinococcus indicus DR122
CPRCSdb: A comprehensive phenotype-associated single-cell transcriptomic database for human cancer22
Shared and divergent contribution of vitamin A and oxytocin to the aetiology of autism spectrum disorder22
Linkage and association analyses reveal that hub genes in energy-flow and lipid biosynthesis pathways form a cluster in upland cotton22
Unleashing high content screening in hit detection – Benchmarking AI workflows including novelty detection22
Transcriptomic signatures associated with autoimmune thyroiditis in papillary thyroid carcinoma and cancer immunotherapy-induced thyroid dysfunction22
ALDH2 as a potential stem cell-related biomarker in lung adenocarcinoma: Comprehensive multi-omics analysis22
Overcoming the cognition-reality gap in robot-to-human handovers with anisotropic variable force guidance22
Aggregating amyloid resources: A comprehensive review of databases on amyloid-like aggregation22
Computational design of α-amylase from Bacillus licheniformis to increase its activity and stability at high temperatures22
BioPrediction-RPI: Democratizing the prediction of interaction between non-coding RNA and protein with end-to-end machine learning22
Prediction and validation of host-pathogen interactions by a versatile inference approach using Aspergillus fumigatus as a case study22
Quercetin: A promising drug candidate against the potential SARS-CoV-2-Spike mutants with high viral infectivity22
Bacterial low-abundant taxa are key determinants of a healthy airway metagenome in the early years of human life22
Data recovery methods for DNA storage based on fountain codes21
Detection and prioritization of COVID-19 infected patients from CXR images: Analysis of AI-assisted diagnosis in clinical settings21
MACRAMÉ – Advanced characterisation methodologies to assess and predict the health and environmental risks of advanced materials21
A method for analyzing the ERP associated with high frequency ANT DBS offset21
MOVIS: A multi-omics software solution for multi-modal time-series clustering, embedding, and visualizing tasks21
Pan-genomic and comparative analysis of Pediococcus pentosaceus focused on the in silico assessment of pediocin-like bacteriocins21
Non-coding antisense transcripts: fine regulation of gene expression in cancer21
A Nano Risk Governance Portal supporting risk governance of nanomaterials and nano-enabled products21
Increased risk of arrhythmias, heart failure, and thrombosis in SARS-CoV-2 positive individuals persists at one year post-infection21
iKcr_CNN: A novel computational tool for imbalance classification of human nonhistone crotonylation sites based on convolutional neural networks with focal loss21
fRNC: Uncovering the dynamic and condition-specific RBP-ncRNA circuits from multi-omics data21
Noninvasive detection and interpretation of gastrointestinal diseases by collaborative serum metabolite and magnetically controlled capsule endoscopy21
HELENA project: Driving innovation in high energy density Li-metal halide solid-state batteries for electric vehicles and aircrafts21
Deep learning frameworks for protein–protein interaction prediction21
Demystifying extrachromosomal DNA circles: Categories, biogenesis, and cancer therapeutics21
Binding modes of prothrombin cleavage site sequences to the factor Xa catalytic triad: Insights from atomistic simulations21
Deep learning based deconvolution methods: A systematic review20
Exploring the role of plant lysin motif receptor-like kinases in regulating plant-microbe interactions in the bioenergy crop Populus20
Intraline genomic heterogeneity of the triple-negative breast cancer MDA-MB-231-luc-GFP cell line20
Corrigendum to “Leveraging large language models to predict antibody biological activity against influenza A hemagglutinin” [Comput Struct Biotechnol J 27 (2025) 1286–1295]20
A potent nonapeptide inhibitor for the CXCL12/HMGB1 heterocomplex: A computational and experimental approach20
Identifying the risk of Kawasaki disease based solely on routine blood test features through novel construction of machine learning models20
Dynamics of spindle assembly and position checkpoints: Integrating molecular mechanisms with computational models20
Artificial intelligence-large language models (AI-LLMs) for reliable and accurate cardiotocography (CTG) interpretation in obstetric practice20
Metabolomic and lipidomic insights into the impact of Euglena gracilis-derived β-glucan supplementation on sow colostrum and milk composition20
Pathway-guided architectures for interpretable AI in biological research20
Deciphering mitochondrial dysfunction in keratoconus: Insights into ACSL4 from machine learning-based bulk and single-cell transcriptome analyses and experimental validation20
Investigating how HIV-1 antiretrovirals differentially behave as substrates and inhibitors of P-glycoprotein via molecular dynamics simulations19
LncCat: An ORF attention model to identify LncRNA based on ensemble learning strategy and fused sequence information19
Multidimensional morphological analysis of live sperm based on multiple-target tracking19
Integrating whole genome sequencing, methylation, gene expression, topologically associated domain information in regulatory mutation prediction: A study of follicular lymphoma19
The optimal metric for viral genome space19
Machine learning for metabolic pathway optimization: A review19
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