Computational and Structural Biotechnology Journal

Papers
(The median citation count of Computational and Structural Biotechnology Journal is 4. 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 2021-11-01 to 2025-11-01.)
ArticleCitations
EthnoHERBS: Harnessing traditional herbal knowledge for biodiversity conservation and innovative health solutions269
WUREN: Whole-modal union representation for epitope prediction243
Agreement and disagreement in pediatric functional neurological symptom disorders: Comparing patient reported outcome measures (PROMs) and clinician assessments182
Comprehensive exploration of JQ1 and GSK2801 targets in breast cancer using network pharmacology and molecular modeling approaches161
Corrigendum to “Cryo-EM reveals architectural diversity in active rotavirus particles” [Comput. Struct. Biotechnol. J. 17 (2019) 1178–1183]152
In silico and in vitro approaches allow the identification of the Prosystemin molecular network151
Consistencies and contradictions in different polymer models of chromatin architecture134
VTAM: A robust pipeline for validating metabarcoding data using controls119
CKATool: A clinical kinematic analysis toolbox for upper limb rehabilitation113
Design rules applied to silver nanoparticles synthesis: A practical example of machine learning application.107
From sequence to function through structure: Deep learning for protein design92
Evolution is in the details: Regulatory differences in modern human and Neanderthal89
Phylogenetic tree-based amino acid sequence generation for proteomics data analysis of unknown species88
Ranking pre-trained speech embeddings in Parkinson's disease detection: Does Wav2Vec 2.0 outperform its 1.0 version across speech modes and languages?86
The influence of HIV sense and antisense transcripts on stochastic HIV transcription and reactivation85
DiabetesOmic: A comprehensive multi-omics diabetes database81
Structural elucidation of four fungal hydrophobins belonging to classes I and II: Results from Alphafold and accelerated molecular dynamics simulations80
Predicting cellular adaptation proteins dependent on eIF2α regulation under stress conditions: Physiological and pathophysiological implications in neuronal function71
Altered heme metabolism and hemoglobin concentration due to empirical antibiotics-induced gut dysbiosis in preterm infants67
A miRNA signature linked to high lipoprotein (a) and coronary calcification in familial hypercholesterolaemia67
MMRT: MultiMut Recursive Tree for predicting functional effects of high-order protein variants from low-order variants66
Corrigendum to “Maternal Clostridium butyricum supplementation during late gestation and lactation enhances gut bacterial communities, milk quality, and reduces piglet diarrhea” [Comput Struct Biotech66
The second intracellular loop of the yeast Trk1 potassium transporter is involved in regulation of activity, and interaction with 14–3-3 proteins62
Towards predicting implant-induced fibrosis: A standardized network model of macrophage-fibroblast interactions62
Deep5mC: Predicting 5-methylcytosine (5mC) methylation status using a deep learning transformer approach62
Predictive dynamic control accurately maps the design space for 2,3-butanediol production61
Streptomyces coelicolor macrodomain hydrolase SCO6735 cleaves thymidine-linked ADP-ribosylation of DNA61
Statistical methods for Mendelian randomization in genome-wide association studies: A review61
Integrated metabolomics and network analysis reveal changes in lipid metabolisms of tripterygium glycosides tablets in rats with collagen-induced arthritis60
DIPAN: Detecting personalized intronic polyadenylation derived neoantigens from RNA sequencing data58
Cell segmentation and representation with shape priors57
Biomarker discovery process at binomial decision point (2BDP): Analytical pipeline to construct biomarker panel57
cPEPmatch Webserver: A comprehensive tool and database to aid rational design of cyclic peptides for drug discovery57
A drug repurposing method based on inhibition effect on gene regulatory network56
Entropy-extreme model for predicting the development of cyber epidemics at early stages56
MUG: A mutation overview of GPCR subfamily A17 receptors55
Computation-aided studies related to the induction of specialized metabolite biosynthesis in microbial co-cultures: An introductory overview53
What remains from living cells in bacterial lysate-based cell-free systems52
Free energy landscape of the PI3Kα C-terminal activation52
Discovery of a novel marine Bacteroidetes with a rich repertoire of carbohydrate-active enzymes52
Predicting zeta potential of liposomes from their structure: A nano-QSPR model for DOPE, DC-Chol, DOTAP, and EPC formulations52
Prediction of protein-ligand binding affinity with deep learning51
The balance between photosynthesis and respiration explains the niche differentiation between Crocosphaera and Cyanothece51
A novel exosome-derived prognostic signature and risk stratification for breast cancer based on multi-omics and systematic biological heterogeneity50
Towards accurate and efficient diagnoses in nephropathology: An AI-based approach for assessing kidney transplant rejection49
Identification and biophysical characterization of epitope atlas of Porcine Reproductive and Respiratory Syndrome Virus49
Automated machine learning in nanotoxicity assessment: A comparative study of predictive model performance49
Advanced biokinetic and hydrodynamic modelling to support and optimize the design of full-scale high rate algal ponds48
NGS allele counts versus called genotypes for testing genetic association47
Nextcast: A software suite to analyse and model toxicogenomics data47
Evidence of a SARS-CoV-2 double Spike mutation D614G/S939F potentially affecting immune response of infected subjects47
Artificial intelligence predictive system of individual survival rate for lung adenocarcinoma45
Network-based prioritization of cancer biomarkers by phenotype-driven module detection and ranking44
Identification of (Z)-2-benzylidene-dihydroimidazothiazolone derivatives as tyrosinase inhibitors: Anti-melanogenic effects and in silico studies44
UPIMAPI, reCOGnizer and KEGGCharter: Bioinformatics tools for functional annotation and visualization of (meta)-omics datasets43
An integrated protein structure fitness scoring approach for identifying native-like model structures43
Improved inter-residue contact prediction via a hybrid generative model and dynamic loss function43
Using molecular dynamics simulations to interrogate T cell receptor non-equilibrium kinetics42
dsCellNet: A new computational tool to infer cell–cell communication networks in the developing and aging brain42
Optimizing the Illumina COVIDSeq laboratorial and bioinformatics pipeline on thousands of samples for SARS-CoV-2 Variants of Concern tracking42
Multi-omics landscape and clinical significance of a SMAD4-driven immune signature: Implications for risk stratification and frontline therapies in pancreatic cancer41
Data pre-processing for analyzing microbiome data – A mini review41
Radiomic clustering using graph network techniques coupled with unbalanced optimal transport41
PLO3S: Protein LOcal Surficial Similarity Screening39
Identification of genetic basis of brain imaging by group sparse multi-task learning leveraging summary statistics39
Bacillus subtilis spores displaying RBD domain of SARS-CoV-2 spike protein39
Contagious infection-free medical interaction system with machine vision controlled by remote hand gesture during an operation39
Pleiotropic expression quantitative trait loci are enriched in enhancers and transcription factor binding sites and impact more genes38
Structural studies of protein–nucleic acid complexes: A brief overview of the selected techniques38
SbD4Skin by EosCloud: Integrating multi-view molecular representation for predicting skin sensitization, irritation, and acute dermal toxicity38
Computational approaches in rheumatic diseases – Deciphering complex spatio-temporal cell interactions38
Augusta: From RNA‐Seq to gene regulatory networks and Boolean models37
PS-GO parametric protein search engine37
Prognostic iron-metabolism signature robustly stratifies single-cell characteristics of hepatocellular carcinoma37
Impact of an irreversible β-galactosylceramidase inhibitor on the lipid profile of zebrafish embryos36
Genome-scale models as a vehicle for knowledge transfer from microbial to mammalian cell systems36
The World of GPCR dimers – Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements36
Cat-E: A comprehensive web tool for exploring cancer targeting strategies36
Empirical comparison and recent advances of computational prediction of hormone binding proteins using machine learning methods36
Inference of essential genes in Brugia malayi and Onchocerca volvulus by machine learning and the implications for discovering new interventions36
IsomiRome analysis reveals dysregulation of 5’ isomiRs during SARS-CoV-2 infection36
Dual guide RNA-mediated concurrent C&G-to-T&A and A&T-to-G&C conversions using CRISPR base editors35
Machine learning in metastatic cancer research: Potentials, possibilities, and prospects35
Mutation density analyses on long noncoding RNA reveal comparable patterns to protein-coding RNA and prognostic value35
Performance of a HER2 testing algorithm tailored for urothelial bladder cancer: A Bi-centre study35
Multicopper oxidases with laccase-ferroxidase activity: Classification and study of ferroxidase activity determinants in a member from Heterobasidion annosum s. l.35
Co-expression of immune checkpoints in glioblastoma revealed by single-nucleus RNA sequencing and spatial transcriptomics34
Single-cell multiome characterizing intercellular communication and intracellular regulation of epithelium and mesenchymal during secondary palate development in mice34
NaCTR: Natural product-derived compound-based drug discovery pipeline from traditional oriental medicine by search space reduction34
Review of protein structure-based analyses that illuminate plant stress mechanisms34
OncoProExp: An interactive shiny web application for comprehensive cancer proteomics and phosphoproteomics analysis33
Identifying novel SMYD3 interactors on the trail of cancer hallmarks33
Thresholding Gini variable importance with a single-trained random forest: An empirical Bayes approach33
SSRTool: A web tool for evaluating RNA secondary structure predictions based on species-specific functional interpretability33
Population genomic analyses reveal evidence for limited recombination in the superbug Candida auris in nature32
YTLR: Extracting yeast transcription factor-gene associations from the literature using automated literature readers32
Drug repurposing in psoriasis, performed by reversal of disease-associated gene expression profiles32
Scale bar of aging trajectories for screening personal rejuvenation treatments32
Literature-based translation from synthetic lethality screening into therapeutics targets: CD82 is a novel target for KRAS mutation in colon cancer32
Strengths and limitations of web servers for the modeling of TCRpMHC complexes32
Computationally derived structural insights into Rare Earth selectivity in lanmodulin and its variants31
Prediction of HER2-positive breast cancer recurrence and metastasis risk from histopathological images and clinical information via multimodal deep learning31
Whole-genome analysis of carbapenem-resistant Acinetobacter baumannii from clinical isolates in Southern Thailand31
A cellulose-degrading Bacillus altitudinis from Tibetan pigs improved the in vitro fermentation characteristics of wheat bran31
Over time analysis of the codon usage of SARS-CoV-2 and its variants31
ECGA: A web server to explore and analyze extrachromosomal gene in cancer31
Protein design accelerates the development and application of optogenetic tools31
PCLDA: An interpretable cell annotation tool for single-cell RNA-sequencing data based on simple statistical methods31
Survival estimation in patients with stomach and esophageal carcinoma using miRNA expression profiles31
A novel deep learning method for large-scale analysis of bone marrow adiposity using UK Biobank Dixon MRI data30
Downregulation of ABLIM3 confers to the metastasis of neuroblastoma via regulating the cell adhesion molecules pathway30
Differential prolyl hydroxylation by six Physcomitrella prolyl-4 hydroxylases30
HIV infection detection using CRISPR/Cas systems: Present and future prospects30
EpiCas-DL: Predicting sgRNA activity for CRISPR-mediated epigenome editing by deep learning30
Unitig-centered pan-genome machine learning approach for predicting antibiotic resistance and discovering novel resistance genes in bacterial strains30
Machine learning reveals STAT motifs as predictors for GR-mediated gene repression30
Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations30
Beyond the Scalpel: Assessing ChatGPT's potential as an auxiliary intelligent virtual assistant in oral surgery30
Optimizing fountain codes for DNA data storage30
Advances in gut microbiota functions in inflammatory bowel disease: Dysbiosis, management, cytotoxicity assessment, and therapeutic perspectives29
Plasma cell-free extrachromosomal circular DNA is a molecular hallmark of preeclampsia29
Structure analysis of human gut microbiota associated with single-celled gut protists using Next-Generation Sequencing of 16S and 18S rRNA genes29
Structure-based identification of HNF4α agonists: Rosmarinic acid as a promising candidate for NAFLD treatment29
Fine-tuning of conditional Transformers improves in silico enzyme prediction and generation29
Comparative analysis of amino acid auxotrophies and peptidase profiles in non-dysbiotic and dysbiotic small intestinal microbiomes29
Fantastic genes and where to find them expressed in CHO29
The discovery of hidden guanylate cyclases (GCs) in the Homo sapiens proteome28
Ion and water permeation through claudin-10b and claudin-15 paracellular channels28
Corrigendum to “TREAT: Therapeutic RNAs exploration inspired by artificial intelligence technology” [Comput Struct Biotechnol J 20 (2022) 5680–5689]28
INSIGHT: An integrated framework for safe and sustainable chemical and material assessment28
PgxSAVy: A tool for comprehensive evaluation of variant peptide quality in proteogenomics – catching the (un)usual suspects28
Post-processing enhances protein secondary structure prediction with second order deep learning and embeddings28
Evaluation of the impact of printing and embroidery parameters in the process of obtaining utility comfort sensors used in protective clothing dedicated to premature babies28
Generic and queryable data integration schema for transcriptomics and epigenomics studies28
Deep learning of antibody epitopes using positional permutation vectors27
Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform27
CNN6mA: Interpretable neural network model based on position-specific CNN and cross-interactive network for 6mA site prediction27
The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations27
TRRAP-mediated acetylation on Sp1 regulates adult neurogenesis27
HELLS modulates the stemness of intrahepatic cholangiocarcinoma through promoting senescence-associated secretory phenotype27
Valproate-coenzyme A conjugate blocks opening of receptor binding domains in the spike trimer of SARS-CoV-2 through an allosteric mechanism27
Histone variants and chromatin structure, update of advances27
scDemultiplex: An iterative beta-binomial model-based method for accurate demultiplexing with hashtag oligos26
A DNA-based non-infectious replicon system to study SARS-CoV-2 RNA synthesis26
SPARC: Structural properties associated with residue constraints26
MNNMDA: Predicting human microbe-disease association via a method to minimize matrix nuclear norm26
Detecting differentially expressed circular RNAs from multiple quantification methods using a generalized linear mixed model25
Targeting non-structural proteins of Hepatitis C virus for predicting repurposed drugs using QSAR and machine learning approaches25
Interplay of starch debranching enzyme and its inhibitor is mediated by Redox-Activated SPL transcription factor25
Evolutionary progression of collective mutations in Omicron sub-lineages towards efficient RBD-hACE2: Allosteric communications between and within viral and human proteins25
Homologous cardiac calcium pump regulators phospholamban and sarcolipin adopt distinct oligomeric states in the membrane25
Protposer: The web server that readily proposes protein stabilizing mutations with high PPV25
MSPJ: Discovering potential biomarkers in small gene expression datasets via ensemble learning25
Proteome-wide prediction and analysis of the Cryptosporidium parvum protein–protein interaction network through integrative methods25
A computational algorithm to assess the physiochemical determinants of T cell receptor dissociation kinetics25
Analyzing the human gut mycobiome – A short guide for beginners24
The seen and the unseen: Molecular classification and image based-analysis of gastrointestinal cancers24
Alterations in 3D chromatin organization contribute to tumorigenesis of EGFR-amplified glioblastoma24
Targeted removal of mitochondrial DNA from mouse and human extrachromosomal circular DNA with CRISPR-Cas924
Structural insights into apoptotic regulation of human Bfk as a novel Bcl-2 family member24
Mysteries of gene regulation: Promoters are not the sole triggers of gene expression24
Modeling approaches for probing cross-feeding interactions in the human gut microbiome24
Population-scale genotyping of structural variation in the era of long-read sequencing24
New insights empowered by single-cell sequencing: From neural crest to enteric nervous system24
Role of Bmal1 in mediating the cholinergic system to regulate the behavioral rhythm of nocturnal marine molluscs24
Discovery of C-12 dithiocarbamate andrographolide analogues as inhibitors of SARS-CoV-2 main protease: In vitro and in silico studies24
Reprogramming landscape highlighted by dynamic transcriptomes in therapy-induced neuroendocrine differentiation24
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 variants24
In-silico proteomic analysis of the role of IL-4 and IL-10 in IVD degeneration: Protein-protein interaction networks for candidate prioritisation23
Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability23
Enhancing detection of epileptic seizures using transfer learning and EEG brain activity signals23
Dynamical features of smooth muscle actin pathological mutants: The arginine-257(258)-Cysteine cases23
New targets for the treatment of ulcerative colitis: Gut microbiota and its metabolites23
Corrigendum to “Coupling the endophytic microbiome with the host transcriptome in olive roots” [Comput. Struct. Biotechnol. J. 19 (2021) 4777–4789]23
Integrative geno-metabolomics of tenasserim turmeric (Curcuma candida (Wall.) Techapr. & Škorničk.) with insights into volatile biosynthesis across the turmeric genus23
Optimization of regulatory DNA with active learning23
CNNSplice: Robust models for splice site prediction using convolutional neural networks23
Concentration-dependent thermodynamic analysis of the partition process of small ligands into proteins23
Molecular dynamics analysis of the structural properties of the transglutaminases of Kutzneria albida and Streptomyces mobaraensis23
Short-chain fatty acids reprogram metabolic profiles with the induction of reactive oxygen species production in human colorectal adenocarcinoma cells23
EquiRank: Improved protein-protein interface quality estimation using protein language-model-informed equivariant graph neural networks23
Enhancing glucose level prediction of ICU patients through hierarchical modeling of irregular time-series23
Increased risk of arrhythmias, heart failure, and thrombosis in SARS-CoV-2 positive individuals persists at one year post-infection22
Reference-based read clustering improves the de novo genome assembly of microbial strains22
Quercetin: A promising drug candidate against the potential SARS-CoV-2-Spike mutants with high viral infectivity22
AmiCa: Atlas of miRNA-gene correlations in cancer22
MACRAMÉ – Advanced characterisation methodologies to assess and predict the health and environmental risks of advanced materials22
TOAST: A novel method for identifying topologically associated domains based on graph auto-encoders and clustering22
A gap analysis of UK biobank publications reveals SNPs associated with intrinsic subtypes of breast cancer22
Osmolyte-induced protein stability changes explained by graph theory22
Computational design of α-amylase from Bacillus licheniformis to increase its activity and stability at high temperatures22
MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction22
fRNC: Uncovering the dynamic and condition-specific RBP-ncRNA circuits from multi-omics data22
iResNetDM: An interpretable deep learning approach for four types of DNA methylation modification prediction22
Determining key residues of engineered scFv antibody variants with improved MMP-9 binding using deep sequencing and machine learning22
Data recovery methods for DNA storage based on fountain codes21
BioPrediction-RPI: Democratizing the prediction of interaction between non-coding RNA and protein with end-to-end machine learning21
Shared and divergent contribution of vitamin A and oxytocin to the aetiology of autism spectrum disorder21
Family-wide analysis of integrin structures predicted by AlphaFold221
Identifying the risk of Kawasaki disease based solely on routine blood test features through novel construction of machine learning models21
Intraline genomic heterogeneity of the triple-negative breast cancer MDA-MB-231-luc-GFP cell line21
Bacterial low-abundant taxa are key determinants of a healthy airway metagenome in the early years of human life21
Machine learning for metabolic pathway optimization: A review21
A Nano Risk Governance Portal supporting risk governance of nanomaterials and nano-enabled products21
Structural and functional mapping of ars gene cluster in Deinococcus indicus DR121
A method for analyzing the ERP associated with high frequency ANT DBS offset21
ALDH2 as a potential stem cell-related biomarker in lung adenocarcinoma: Comprehensive multi-omics analysis21
Deciphering mitochondrial dysfunction in keratoconus: Insights into ACSL4 from machine learning-based bulk and single-cell transcriptome analyses and experimental validation21
How to describe the time-dependent dissolution of engineered nanomaterials?21
SpatialPPIv2: Enhancing protein–protein interaction prediction through graph neural networks with protein language models21
Design, proof-of-concept of single robotic hair transplant mechanisms for both harvest and implant of hair grafts21
Aggregating amyloid resources: A comprehensive review of databases on amyloid-like aggregation21
HELENA project: Driving innovation in high energy density Li-metal halide solid-state batteries for electric vehicles and aircrafts21
Detection and prioritization of COVID-19 infected patients from CXR images: Analysis of AI-assisted diagnosis in clinical settings21
Overcoming the cognition-reality gap in robot-to-human handovers with anisotropic variable force guidance21
Cluster parameter-based DBSCAN maps for image characterization21
Corrigendum to “Leveraging large language models to predict antibody biological activity against influenza A hemagglutinin” [Comput Struct Biotechnol J 27 (2025) 1286–1295]21
Discovery of a new generation of angiotensin receptor blocking drugs: Receptor mechanisms and in silico binding to enzymes relevant to SARS-CoV-221
iSanXoT: A standalone application for the integrative analysis of mass spectrometry-based quantitative proteomics data21
RNA secondary structure prediction by conducting multi-class classifications20
Transcriptomic signatures associated with autoimmune thyroiditis in papillary thyroid carcinoma and cancer immunotherapy-induced thyroid dysfunction20
Deep learning based deconvolution methods: A systematic review20
Metabolomic and lipidomic insights into the impact of Euglena gracilis-derived β-glucan supplementation on sow colostrum and milk composition20
Differential gene expression analysis pipelines and bioinformatic tools for the identification of specific biomarkers: A review20
Exploring the role of plant lysin motif receptor-like kinases in regulating plant-microbe interactions in the bioenergy crop Populus20
Recognition of immune-related tumor antigens and immune subtypes for mRNA vaccine development in lung adenocarcinoma20
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
Prediction and validation of host-pathogen interactions by a versatile inference approach using Aspergillus fumigatus as a case study20
Starch granules and their size distribution in wheat: Biosynthesis, physicochemical properties and their effect on flour-based food systems20
Deep learning frameworks for protein–protein interaction prediction20
A potent nonapeptide inhibitor for the CXCL12/HMGB1 heterocomplex: A computational and experimental approach20
Improving doublet cell removal efficiency through multiple algorithm runs20
Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein19
Establishment and validation of a cholesterol metabolism-related prognostic signature for hepatocellular carcinoma19
Pan-genomic and comparative analysis of Pediococcus pentosaceus focused on the in silico assessment of pediocin-like bacteriocins19
Relative flux trade-offs and optimization of metabolic network functionalities19
Investigating how HIV-1 antiretrovirals differentially behave as substrates and inhibitors of P-glycoprotein via molecular dynamics simulations19
Linkage and association analyses reveal that hub genes in energy-flow and lipid biosynthesis pathways form a cluster in upland cotton19
Demystifying extrachromosomal DNA circles: Categories, biogenesis, and cancer therapeutics19
IBPred: A sequence-based predictor for identifying ion binding protein in phage19
Noninvasive detection and interpretation of gastrointestinal diseases by collaborative serum metabolite and magnetically controlled capsule endoscopy19
Direct antiglobulin test type, red blood cell distribution width, and estimated glomerular filtration rate for early prediction of in-hospital mortality of patients with COVID-1919
Binding modes of prothrombin cleavage site sequences to the factor Xa catalytic triad: Insights from atomistic simulations19
Non-coding antisense transcripts: fine regulation of gene expression in cancer19
MOVIS: A multi-omics software solution for multi-modal time-series clustering, embedding, and visualizing tasks19
iKcr_CNN: A novel computational tool for imbalance classification of human nonhistone crotonylation sites based on convolutional neural networks with focal loss19
Pathway-Guided Architectures for Interpretable AI in Biological Research19
SCInter: A comprehensive single-cell transcriptome integration database for human and mouse19
Unleashing high content screening in hit detection – Benchmarking AI workflows including novelty detection19
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