Computational Biology and Chemistry

Article	Citations
Computational insights into irinotecan's interaction with UBE2I in ovarian and endometrial cancers	187
Revolutionizing medical imaging: A cutting-edge AI framework with vision transformers and perceiver IO for multi-disease diagnosis	112
Amino acid sequence-based IDR classification using ensemble machine learning and quantum neural networks	84
New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies	69
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2	56
Investigation of mesenchymal stem cell secretome on breast cancer gene expression: A bioinformatic approach to identify differentially expressed genes, functional networks, and potential therapeutic t	51
Multi-scale DNA language model improves 6 mA binding sites prediction	48
Identification of angiogenesis-related subtypes and risk models for predicting the prognosis of gastric cancer patients	47
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification	45
Editorial Board	42
Integrated consensus genetic map and genomic scaffold re-ordering of oil palm (Elaeis guineensis) genome	41
Editorial Board	41
Implications of trinodal inhibitions and drug repurposing in MAPK pathway: A putative remedy for breast cancer	38
Identification and validation of biomarkers in Alzheimer's disease based on machine learning algorithms and single-cell sequencing analysis	37
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks	37
Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction	34
The interaction of methotrexate with the human C5a and its potential therapeutic implications	33
Computational investigations of indanedione and indanone derivatives in drug discovery: Indanone derivatives inhibits cereblon, an E3 ubiquitin ligase component	32
Editorial Board	31
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein	31
Understanding the IDH1 missense SNPs on expression of genes involved in Glioblastoma multiforme	30
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach	30
Interactions between DNA and the acridine intercalator: A computational study	29
Identification of oil palm cis-regulatory elements based on DNA free energy and single nucleotide polymorphism density	27
Computational analyses of the interactome between TNF and TNFR superfamilies	27

A global report on the dynamics of COVID-19 with quarantine and hospitalization: A fractional order model with non-local kernel	27
STRIDER: Steric hindrance and metal coordination identifier	26
Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors	26
Inflammation inhibitory activity of green tea, soybean, and guava extracts during Sars-Cov-2 infection through TNF protein in cytokine storm	26
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis	23
Exploring the anti-cancer potential of daidzin in breast cancer: Integrated bioinformatics and computational insights on oncogene inhibition	23
Netting into the Sophoretin pool: An approach to trace GSTP1 inhibitors for reversing chemoresistance	22
Computer-aided screening of phytoconstituents from Plumeria species targeting xanthine oxidase inhibition: a combination of pharmacokinetics, molecular docking and molecular dynamics approaches	22
Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors	22
Bioinformatics analysis combined with experiments to unveil common hub genes, pathways, and transcription factor regulatory networks in ulcerative colitis and osteoporosis	22
A comprehensive study on topological indices and entropy measures for terbium niobate using logarithmic regression models	21
MSFF-MA-DDI: Multi-Source Feature Fusion with Multiple Attention blocks for predicting Drug–Drug Interaction events	21
A computational investigation of monolayer HB: Effective NH3 gas sensor with highly ‎sensor response	20
Cerebral aneurysm evolution modeling from microstructural computational models to machine learning: A review	20
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition	20
Bisbenzylisoquinolines from Cissampelos pareira L. as antimalarial agents: Molecular docking, pharmacokinetics analysis, and molecular dynamic simulation studies	20
An integrated bioinformatics and machine learning-based approach to depict key immunological players associated with candidemia during immunodeficiency	20
SNSynergy: Similarity network-based machine learning framework for synergy prediction towards new cell lines and new anticancer drug combinations	20
Investigations on bioactive compounds of Punica granatum and Beta vulgaris for breast cancer treatment: Network pharmacology predictions, molecular docking, and in-vitro experimental verification of r	19
SECOA: Serial Exponential-Crayfish Optimization Algorithm with ResNet features for medical image registration	19
Exploration of functional relations among differentially co-expressed genes identifies regulators in glioblastoma	19
Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug	19
An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations	18
Vector embeddings by sequence similarity and context for improved compression, similarity search, clustering, organization, and manipulation of cDNA libraries	18
Tensor improve equivariant graph neural network for molecular dynamics prediction	18
Reliable estrogen-related prognostic signature for uterine corpus endometrial carcinoma	18
BAT-Net: An enhanced RNA Secondary Structure prediction via bidirectional GRU-based network with attention mechanism	17
Comparative in Silico study of apigenin and its dimeric forms on PIM1 kinase in glioblastoma multiform	17
Classification and prediction of variants associated with hearing loss using sequence information in the vicinity of mutation sites	17
Targeting AR-positive breast cancer cells via drug repurposing approach	17
An ensemble of bioinformatics and machine learning approaches to identify shared breast cancer biomarkers among diverse populations	17
RDDL: A systematic ensemble pipeline tool that streamlines balancing training schemes to reduce the effects of data imbalance in rare-disease-related deep-learning applications	17
Catalytic activity in vitro of the human protein kinase ASK1 mutants: Experimental and molecular simulation study	17
FusPB-ESM2: Fusion model of ProtBERT and ESM-2 for cell-penetrating peptide prediction	17
GAP positions catalytic H-Ras residue Q61 for GTP hydrolysis in molecular dynamics simulations, complicating chemical rescue of Ras deactivation	17
Graph-ETMB: A graph neural network-based model for tumour mutation burden estimation	16
Gene-expression profile analysis to disclose diagnostics and therapeutics biomarkers for thyroid carcinoma	16
CopyMix: Mixture model based single-cell clustering and copy number profiling using variational inference	16
SME-MFP: A novel spatiotemporal neural network with multiangle initialization embedding toward multifunctional peptides prediction	16
P-FARFAR2: A multithreaded greedy approach to sampling low-energy RNA structures in Rosetta FARFAR2	15
Machine learning approaches for predicting craniofacial anomalies with graph neural networks	15
Machine learning driven identification of therapeutic phytochemicals targeting Hepatocellular carcinoma	15
Human drug-pathway association prediction based on network consistency projection	14
Fractional whale driving training-based optimization enabled transfer learning for detecting autism spectrum disorder	14
An assessment of crucial structural contributors of HDAC6 inhibitors through fragment-based non-linear pattern recognition and molecular dynamics simulation approaches	14
The marijuana-schizophrenia multifaceted nexus: Connections and conundrums towards neurophysiology	14
NeuralCodOpt: Codon optimization for the development of DNA vaccines	14
Integrative machine learning and bioinformatics analysis unveil key genes for precise glioma classification and prognosis evaluation	14
DeepELR: Deep learning-based energy and link stability aware routing in IoT for heart disease classification	14
Identification of phytoestrogens as sirtuin inhibitor against breast cancer: Multitargeted approach	14

Editorial Board	13
A comprehensive investigation regarding the clinical significance of ITGB4 in oral squamous cell carcinoma combining immunohistochemistry, RNA-seq, and microarray data	13
A computational study of structural analysis of Class I human glucose-6-phosphate dehydrogenase (G6PD) variants: Elaborating the correlation to chronic non-spherocytic hemolytic anemia (CNSHA)	13
Editorial	13
Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents	13
Editorial Board	12
Deep2Pep: A deep learning method in multi-label classification of bioactive peptide	12
Transcriptome analysis reveals mechanisms of metabolic detoxification and immune responses following farnesyl acetate treatment in Metisa plana	12
Integrated deep learning model for automatic detection and classification of stenosis in coronary angiography	12
Machine learning and molecular subtyping reveal the impact of diverse patterns of cell death on the prognosis and treatment of hepatocellular carcinoma	12
Computational analysis of substrate recognition of Sars-Cov-2 Mpro main protease	12
A composite ranking of risk factors for COVID-19 time-to-event data from a Turkish cohort	12
UmamiPreDL: Deep learning model for umami taste prediction of peptides using BERT and CNN	12
Discovery of small-molecule PD-1/PD-L1 antagonists through combined virtual screening and experimental validation	11
Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates	11
A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2	11
Comparative anti-oxidant and anti-inflammatory study of diverse honey types of Kashmir valley through In Vitro, analytical chemistry and computational approach	11
ANNInter: A platform to explore ncRNA-ncRNA interactome of Arabidopsis thaliana	11
scDGG: Dynamic gene graphs for enhancing clustering analysis of single-cell RNA sequencing data via spatiotemporal representations	11
im7G-DCT: A two-branch strategy model based on improved DenseNet and transformer for m7G site prediction	11
Integrative review of intelligent nuchal translucency for genetic disorder	11
Phytocompounds of Senecio candicans as potential acetylcholinesterase inhibitors targeting Alzheimer's disease: A structure-based virtual screening and molecular dynamics simulation study	11
Computational exploration of Ganoderma lucidum metabolites as potential anti-atherosclerotic agents: Insights from molecular docking and dynamics simulations	11
Editorial Board	11
Towards development of new antimalarial compounds through in silico and in vitro assays	11
Dual computational and biological assessment of some promising nucleoside analogs against the COVID-19-Omicron variant	11
TopMarker: Computational screening biomarkers of hepatocellular carcinoma from transcriptome and interactome based on differential network topological parameters	10
CNVABNN: An AdaBoost algorithm and neural networks-based detection of copy number variations from NGS data	10
Osmotic pressure induced by extracellular matrix drives Bacillus subtilis biofilms' self-healing	10
ACDMBI: A deep learning model based on community division and multi-source biological information fusion predicts essential proteins	10
LPI-CSFFR: Combining serial fusion with feature reuse for predicting LncRNA-protein interactions	10
Antihyperlipidemic mechanisms of a formula containing Curcuma xanthorrhiza, Sechium edule, and Syzigium polyanthum: In silico and in vitro studies	10
Mixed model-based eQTL analysis reveals lncRNAs associated with regulation of genes involved in sex determination and spermatogenesis: The key to understanding human gender imbalance	10
Using a dual immunoinformatics and bioinformatics approach to design a novel and effective multi-epitope vaccine against human torovirus disease	10
Designing, DFT, biological, & molecular docking analysis of new Iron(III) & copper(II) complexes incorporating 1-{[-(2-Hydroxyphenyl)methylene]amino}−5,5-diphenylimidazolidine-2,4-dione (PHNS)	10
Unravelling Pasteurella multocida Toxin (PMT): Structural insights, antibiotic assessment, and identification of potential inhibitors	10
Integrating multiple sequence features for identifying anticancer peptides	10
MMR: A Multi-view Merge Representation model for Chemical-Disease relation extraction	10
Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)	10
Identifying potential Alzheimer's disease therapeutics through GSK-3β inhibition: A molecular docking and dynamics approach	10
Revelation of Brevi-inflammin, a novel anti-inflammatory metabolite from Brevibacterium casei VRK 1, as a potent COX-2 inhibitor	9
Integrative strategies in drug discovery: Harnessing genomics, deep learning, and computer-aided drug design	9
A structure-based approach to discover a potential isomerase Pin1 inhibitor for cancer therapy using computational simulation and biological studies	9
FrAdadelta-CSA: Fractional Adadelta Chameleon Swarm Algorithm-based feature selection with SpikeGoogle-DenseNet for epileptic seizure detection	9
Exploring of antioxidant and antibacterial properties of novel 1,3,4-thiadiazole derivatives: Facile synthesis, structural elucidation and DFT approach to antioxidant characteristics	9
Robust biomarker screening from gene expression data by stable machine learning-recursive feature elimination methods	9
ACP-ESM2: The prediction of anticancer peptides based on pre-trained classifier	9
Statistical analysis of the unique characteristics of secondary structures in proteins	9
Comparative analysis of simple sequence repeats and synteny across ten Oryza species: Implications for stress response and genetic diversity	9
Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment	9
A Boolean model of the oncogene role of FAM111B in lung adenocarcinoma	9
Phytoflavonoids as alternative therapeutic effect for melanoma: Integrative Network pharmacology, molecular dynamics and drug-likeness profiling for lead discovery	9
Effects of toxin peptides PepA1 and PepA2 on human red blood cell membrane model: A molecular dynamics study	9
In silico profiling, docking analysis, and protein interactions of secondary metabolites in Musa spp. Against the SGE1 protein of Fusarium oxysporum f. sp. cubense	9
Identification and validation of miR-21 key genes in cervical cancer through an integrated bioinformatics approach	9
Corrigendum to “Computational simulation and experimental study on the mechanism of yishen gushu formula in treating osteoporosis” [Comput. Biol. Chem. 120 (2025) 1–20]	9
16S amplicon sequencing and functional gene prediction of microbial community in Inner West Aegean, Turkey	9
Visualization of UV and ECD spectra of E&Z isomers of N-(4′-Hydroxy-cinnamoyl)− 5- hydroxyanthranilic acid	9
Pharmacoinformatics-based prediction of Checkpoint kinase-1 inhibitors from Momordica charantia Linn. for cancer	8
Mining channel-regulated peptides from animal venom by integrating sequence semantics and structural information	8
The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain	8
Exploring casual effects and shared molecular mechanism between psoriasis and liver cancer through Mendelian randomization and comprehensive bioinformatic analyses	8
Integrated in silico and experimental discovery of trimeric peptide ligands targeting Butyrylcholinesterase	8
A comprehensive analysis of optimizers in message passing neural networks for molecular property prediction task	8
Prognostic significance of a 3-gene ferroptosis-related signature in lung cancer via LASSO analysis and cellular functions of UBE2Z	8
Exploring potential molecular targets and therapeutic efficacy of beauvericin in triple-negative breast cancer cells	8
Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease	8
Targeting cadherins with colicins: Molecular docking and dynamics reveal disruptive potential in cancer metastasis	8
Editorial Board	8
In silico exploration of CB2 receptor agonist in the management of neuroinflammatory conditions by pharmacophore modeling	8
Multiscale modeling of the cellular uptake of C6 peptide-siRNA complexes	8
Designing of thiazolidinones against chicken pox, monkey pox, and hepatitis viruses: A computational approach	8
SE-BLTCNN: A channel attention adapted deep learning model based on PSSM for membrane protein classification	8
Transcriptomic analysis of human castration-resistant prostate cancer: Insights into novel therapeutic strategies	8
Editorial Board	8
Integrative bioinformatics analysis of immune activation and gene networks in pediatric septic arthritis	8
Exploring enzyme inhibition profiles of novel halogenated chalcone derivatives on some metabolic enzymes: Synthesis, characterization and molecular modeling studies	8
Real-to-bin conversion for protein residue distances	8
Molecular dynamic simulation analysis of SARS-CoV-2 spike mutations and evaluation of ACE2 from pets and wild animals for infection risk	8
Virtual screening of polyherbal compounds for AKT1 and HSPB1 inhibition in breast cancer apoptosis pathway	8

Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database	8
Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study	8
The prevalence of dementia in humans could be the result of a functional adaptation	8
DeepOCR: A multi-species deep-learning framework for accurate identification of open chromatin regions in livestock	8
Novel 1,4 benzothiazine 3-one derivatives as anticonvulsant agents: Design, synthesis, biological evaluation and computational studies	8
Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach	8
Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline	7
Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation	7
Identification of potential therapeutic targets for stroke using data mining, network analysis, enrichment, and docking analysis	7
TCGAimmunosurv: An R package to identify genes associated with patient survival and immune cell state transitions using TCGA and single-cell RNA-seq data	7
IoT based healthcare system using fractional dung beetle optimization enabled deep learning for breast cancer classification	7
Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methods	7
An open source in silico workflow to assist in the design of fusion proteins	7
Cellular and molecular level host-pathogen interactions in Francisella tularensis: A microbial gene network study	7
Screening of the effective sites of Cichorium glandulosum against hyperuricemia combined with hyperlipidemia and its network pharmacology analysis	7
K1K2NN: A novel multi-label classification approach based on neighbors for predicting COVID-19 drug side effects	7
Prediction of key pathways in hepatocellular carcinoma (HCC): A machine learning approach using a sample pathway information matrix	7
PayloadGenX, a multi-stage hybrid virtual screening approach for payload design: A microtubule inhibitor case study	7
Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations	7
Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents	7
DICCA-DTA: Diffusion and Contextualized Capsule Attention guided Factorized Cross-Pooling for Drug-Target Affinity prediction	7
A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures	7
Co-expression network and survival analysis of breast cancer inflammation and immune system hallmark genes	7
Cancer detection with various classification models: A comprehensive feature analysis using HMM to extract a nucleotide pattern	7
Accelerating long-read overlap detection for genome assembly with a two-hash table strategy	7
Cytomorphic electronic system design of apoptosis pathway with extrinsic and intrinsic perturbations	7
Coevolutionary dynamics of 53BP1 and its impact on TP53 interaction for DNA damage repair	7
Integrating in vitro, network pharmacology, and molecular docking approaches to uncover the antidiabetic potential of Tylophora hirsuta	7
Multiple omics-based machine learning reveals specific macrophage sub-clusters in renal ischemia-reperfusion injury and constructs predictive models for transplant outcomes	7
A small-scale data driven and graph neural network based toxicity prediction method of compounds	6
Theoretical design of metal–porphin systems for selective interaction with trace geosmin	6
Encoding the space of protein-protein binding interfaces by artificial intelligence	6
A novel prognostic risk score model based on RNA editing level in lower-grade glioma	6
Where is the mind within the brain? Transient selection of subnetworks by metabotropic receptors and G protein-gated ion channels	6
Effects of 1,4-dihydropyridine derivatives on cell injury and mTOR of HepG2 and 3D-QSAR study	6
TSSUNet-MB – ab initio identification of σ70 promoter transcription start sites in Escherichia coli using deep multitask learning	6
In silico analysis to identify novel amidase enzymes from unclassified bacteria present in coal metagenome	6
CTDN (Convolutional Temporal Based Deep‐ Neural Network): An Improvised Stacked Hybrid Computational Approach for Anticancer Drug Response Prediction	6
A kinetic model with analysis for the oxidation of sugars by permanganate in simple aqueous media with sustainable fractional approach	6
Integrating machine learning and statistical methods for prediction and feature-based network characterization of stress response protein	6
Lycopene destabilizes preformed Aβ fibrils: Mechanistic insights from all-atom molecular dynamics simulation	6
Theoretical Investigations of a point mutation affecting H5 Hemagglutinin’s receptor binding preference	6
Integrating classic AI and agriculture: A novel model for predicting insecticide-likeness to enhance efficiency in insecticide development	6
Uncovering the antidiabetic potential of heart-friendly and diuretic bioactive compounds through computer-based drug design	6
An efficient Burrows–Wheeler transform-based aligner for short read mapping	6
In silico identification of candidate miRNA-encoded Peptides in four Fabaceae species	6
Vaginal birth after cesarean section prediction model for Jordanian population	6
Ligand binding free energy evaluation by Monte Carlo Recursion	6
Halting aberrant DNA methylation via in silico Identification of potent inhibitors of DNMT3B enzyme: Atomistic insights	6
Fertilizer prediction using serial exponential newton meta-heuristic algorithm-based convolutional neural network in IoT-based WSNs	6
Exploring the interaction of phytochemicals from Hibiscus rosa-sinensis flowers with glucosidase and acetylcholinesterase: An integrated in vitro and in silico approach	6
Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy	6
ARGai 1.0: A GAN augmented in silico approach for identifying resistant genes and strains in E. coli using vision transformer	6
GEHGAN: CircRNA–disease association prediction via graph embedding an	6
Regulation of oxytocin receptor by zinc coumarin derivatives: a mechanistic approach to alleviate anxiety and enhance folliculogenesis in letrozole-induced PCOS in zebrafish model	6
A novel intelligent framework for assessing within-host transmission dynamics of Chikungunya virus using an unsupervised stochastic neural network approach	6
LigDockTailor: Ligand-specific docking tool matching using multidimensional descriptors	6
Differentiating stable and unstable protein using convolution neural network and molecular dynamics simulations	6
Non-kin selection enhances complexity in cooperation: A unified quantitative law	6
Non-homogeneous Poisson and renewal processes as spatial models for cancer mutation	6
Transfer learning with molecular graph convolutional networks for accurate modeling and representation of bioactivities of ligands targeting GPCRs without sufficient data	6
Planning biosynthetic pathways of target molecules based on metabolic reaction prediction and AND-OR tree search	6
Design and characterization of defined alpha-helix mini-proteins with intrinsic cell permeability	6
Computational study and design of effective siRNAs to silence structural proteins associated genes of Indian SARS-CoV-2 strains	6
AMPCDA: Prediction of circRNA–disease associations by utilizing attention mechanisms on metapaths	6
Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2	6
Serum levels of PSA and VEGF2 as the prognosis markers for bone metastasis of prostate cancer: A retrospective study	5
In-silico screening and identification of glycomimetic as potential human sodium-glucose co-transporter 2 inhibitor	5
Identification of immunosenescence of unconventional T cells in hepatocellular carcinoma	5
ProAttUnet: Advancing protein secondary structure prediction with deep learning via U-Net dual-pathway feature fusion and ESM2 pretrained protein language model	5
Heterologous expression, biochemical characterisation and computational analysis of Bacteroides fragilis enolase	5
Single-cell transcriptome sequencing revealed the metabolic changes and microenvironment changes of cardiomyocytes induced by diabetes	5
A metagenome-wide association study of gut microbiome in patients with AMD, ASD, RA, T2D & VKH diseases	5
Pinpointing potent hits for cancer immunotherapy targeting the TIGIT/PVR pathway using the XGBoost model, centroid-based virtual screening, and MD simulation	5
In-silico study and in-vitro validations for an affinity of mangiferin with aldose reductase: Investigating potential in tackling diabetic retinopathy	5
Synthesis, In Vitro, and In Silico studies of imide derivatives of phthalic anhydride as potential antimicrobial agents	5
Beyond current boundaries: Integrating deep learning and AlphaFold for enhanced protein structure prediction from low-resolution cryo-EM maps	5
Assessment of the hypoglycemic and anti-hemostasis effects of Paederia foetida (L.) in controlling diabetes and thrombophilia combining in vivo and computational analysis	5
Genome-wide association mapping of bakanae disease resistance in rice	5
A novel radial basis neural network for the Zika virus spreading model	5
Acknowledgements to 2022 Reviewers	5
Effect of osmolytes on the EcoRI endonuclease: Insights into hydration and protein dynamics from molecular dynamics simulations	5
Identification of imidazole-based small molecules to combat cognitive disability caused by Alzheimer’s disease: A molecular docking and MD simulations based approach	5
Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics	5
GShC-Net: Hybrid deep learning with DCTLAP feature extraction for brain tumor detection	5
Optimizing tomato plant and insect disease control using a fractional model and deep neural networks	5
Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers	5
Computational insights into potential marine natural products as selective inhibitors of Mycobacterium tuberculosis InhA: A structure-based virtual screening study	5
Predicting associations between drugs and G protein-coupled receptors using a multi-graph convolutional network	5
Predicting the evolution of number of native contacts of a small protein by using deep learning approach	5
Phytochemical profiling, human insulin stability and alpha glucosidase inhibition of Gymnema latifolium leaves aqueous extract: Exploring through experimental and in silico approach	5
Utilizing neighborhood topological indices for QSPR analysis of clinically approved immunosuppressive drugs in heart transplant therapy	5
Optimizing fetal health prediction: Ensemble modeling with fusion of feature selection and extraction techniques for cardiotocography data	5
Prediction of Crohn's disease based on deep feature recognition	5
Single-cell transcriptomic reveals network topology changes of cancer at the individual level	5