Computational Biology and Chemistry

Article	Citations
Lung cancer prediction using multi-gene genetic programming by selecting automatic features from amino acid sequences	129
A convolutional network and attention mechanism-based approach to predict protein–RNA binding residues	96
DTIP-TC2A: An analytical framework for drug-target interactions prediction methods	85
Antidiabetic potency and molecular insights of natural products bearing indole moiety: A systematic bioinformatics investigation targeting AKT1	58
DeepOCR: A multi-species deep-learning framework for accurate identification of open chromatin regions in livestock	41
The role of the active site lysine residue on FAD reduction by NADPH in glutathione reductase	34
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein	33
Longest common substring in Longest Common Subsequence’s solution service: A novel hyper-heuristic	31
In-silico design of novel potential HDAC inhibitors from indazole derivatives targeting breast cancer through QSAR, molecular docking and pharmacokinetics studies	30
Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease	29
Unveiling potential repurposed drug candidates for Plasmodium falciparum through in silico evaluation: A synergy of structure-based approaches, structure prediction, and molecular dynamics simulations	29
Pre-training molecular representation model with spatial geometry for property prediction	27
Editorial Board	26
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical the	25
GlucoKinaseDB: A comprehensive, curated resource of glucokinase modulators for clinical and molecular research	24
PeSA 2.0: A software tool for peptide specificity analysis implementing positive and negative motifs and motif-based peptide scoring	23
MicroRNA mediated gene regulatory circuits leads to machine learning based preliminary detection of acute myeloid leukemia	22
ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction	21
Structure-based virtual screening for potent inhibitors of GH-20 β-N-acetylglucosaminidase: Classical and machine learning scoring functions, and molecular dynamics simulations	21
Cell-based assays and molecular simulation reveal that the anti-cancer harmine is a specific matrix metalloproteinase-3 (MMP-3) inhibitor	20
High-throughput virtual screening and microsecond MD simulations to identify potential sugar mimic of the solute-binding protein BlAXBP of the ABC transporter from Bifidobacterium animalis subsp. Lact	20
Editorial Board	20
Intrinsic relative preference profile of pan-kinase inhibitor drug staurosporine towards the clinically occurring gatekeeper mutations in Protein Tyrosine Kinases	19
Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics	19
The RIT1 C-terminus associates with lipid bilayers via charge complementarity	19

Prediction of protein structural class based on symmetrical recurrence quantification analysis	18
Estimation of important binding sites in compounds that interact with proteins	17
The pathogenicity classification of PAH gene variants in the Iranian population	16
Mechanisms of influence of the microtubule over-stabilizing ligands on the structure and intrinsic dynamics of α,β-Tubulin	16
SIP: A computational prediction of S-Adenosyl methionine (SAM) interacting proteins and their interaction sites through primary structures	16
SE-BLTCNN: A channel attention adapted deep learning model based on PSSM for membrane protein classification	16
Editorial Board	16
Editorial Board	16
The prevalence of dementia in humans could be the result of a functional adaptation	15
Acknowledgements to 2021 Reviewers	15
ReGen-DTI: A novel generative drug target interaction model for predicting potential drug candidates against SARS-COV2	15
XLR-Net: Explainable AI-driven improved L	15
Structure-based virtual screening of dipeptidyl peptidase 4 inhibitors and their in vitro analysis	14
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	14
Editorial Board	14
Computational investigations of indanedione and indanone derivatives in drug discovery: Indanone derivatives inhibits cereblon, an E3 ubiquitin ligase component	13
Three candidate anticancer drugs were repositioned by integrative analysis of the transcriptomes of species with different regenerative abilities after injury	13
Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment	13
Machine learning assisted methods for the identification of low toxicity inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA)	13
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks	13
Novel 1,4 benzothiazine 3-one derivatives as anticonvulsant agents: Design, synthesis, biological evaluation and computational studies	13
T-A-MFFNet: Multi-feature fusion network for EEG analysis and driving fatigue detection based on time domain network and attention network	13
Discovery of new inhibitor for the protein arginine deiminase type 4 (PAD4) by rational design of α-enolase-derived peptides	13
4D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors	12
Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction	12
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2	12
Identification of DEMETER-like DNA demethylase gene family in citrus and their role in drought stress-adaptive responses	12
Designing of thiazolidinones against chicken pox, monkey pox, and hepatitis viruses: A computational approach	12
HADEG: A curated hydrocarbon aerobic degradation enzymes and genes database	11
Identification of angiogenesis-related subtypes and risk models for predicting the prognosis of gastric cancer patients	11
Multi-scale DNA language model improves 6 mA binding sites prediction	11
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification	11
In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions	10
Prediction of human-Streptococcus pneumoniae protein-protein interactions using logistic regression	10
Rational design of antimicrobial peptides targeting Gram-negative bacteria	10
Integrated in silico and experimental discovery of trimeric peptide ligands targeting Butyrylcholinesterase	10
Graph convolutional network based virus-human protein-protein interaction prediction for novel viruses	10
In Silico analysis of the sequence and structure of plant microRNAs packaged in extracellular vesicles	10
Comprehending the pharmacological mechanism of marine phenolic acids in bladder cancer therapy against matrix metalloproteinase 9 protein by integrated network pharmacology and in-silico approaches	10
Docking-based virtual screening studies aiming at the covalent inhibition of SARS-CoV-2 MPro by targeting the cysteine 145	10
GraphDPA: Predicting drug-pathway associations by graph convolutional networks	10
ABLE: Attention based learning for enzyme classification	9
A multilevel approach for screening natural compounds as an antiviral agent for COVID-19	9
Knowledge enhanced attention aggregation network for medicine recommendation	9
Design, synthesis, molecular dynamics simulation, MM/GBSA studies and kinesin spindle protein inhibitory evaluation of some 4-aminoquinoline hybrids	9
Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity	9
Glycation restrains open-closed conformation of Insulin	9
Prediction for understanding the effectiveness of antiviral peptides	9
DeepPLM_mCNN: An approach for enhancing ion channel and ion transporter recognition by multi-window CNN based on features from pre-trained language models	9
Transcription factors and chaperone proteins play a role in launching a faster response to heat stress and aggregation	9

Computational therapeutic repurposing of tavaborole targeting arginase-1 for venous leg ulcer	9
Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation	9
In vitro-in silico pharmacology and chemistry of Stercularin, isolated from Sterculia diversifolia	8
BactInt: A domain driven transfer learning approach for extracting inter-bacterial associations from biomedical text	8
Prediction of potential drug-microbe associations based on matrix factorization and a three-layer heterogeneous network	8
Comprehensive analysis of the large and small ribosomal proteins in breast cancer: Insights on proteomic and transcriptomic expression patterns, regulation, mutational landscape, and prognostic signif	8
Design, synthesis, evaluation of new 3-acetylisoxazolines and their hybrid analogous as anticancer agents: In vitro and in silico analysis	8
Identification of promising inhibitory heterocyclic compounds against acetylcholinesterase using QSAR, ADMET, biological activity, and molecular docking	8
BRWMC: Predicting lncRNA-disease associations based on bi-random walk and matrix completion on disease and lncRNA networks	8
The reactivity of neurotransmitters and their metabolites towards various nitrogen-centered radicals: Experimental, theoretical, and biotoxicity evaluation	8
Experimental and theoretical studies of Palladium-hydrazide complexes’ interaction with DNA and BSA, in vitro cytotoxicity activity and plasmid cleavage ability	8
Integrated consensus genetic map and genomic scaffold re-ordering of oil palm (Elaeis guineensis) genome	8
DeepBCE: Evaluation of deep learning models for identification of immunogenic B-cell epitopes	8
Protein-DNA interface hotspots prediction based on fusion features of embeddings of protein language model and handcrafted features	8
Robust biomarker screening from gene expression data by stable machine learning-recursive feature elimination methods	8
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic	8
In-silico study and in-vitro validations for an affinity of mangiferin with aldose reductase: Investigating potential in tackling diabetic retinopathy	8
Identifying the active compounds and mechanism of action of Banxia Xiexin decoction for treating ethanol-induced chronic gastritis using network pharmacology combined with UPLC–LTQ–Orbitrap MS	8
Exploring potential molecular targets and therapeutic efficacy of beauvericin in triple-negative breast cancer cells	8
Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database	8
Exploring enzyme inhibition profiles of novel halogenated chalcone derivatives on some metabolic enzymes: Synthesis, characterization and molecular modeling studies	8
Conversion of fat to cellular fuel—Fatty acids β-oxidation model	8
Green synthesis of selenium based N-heterocyclic carbene compounds; structural, in-vitro anticancer and molecular docking studies	8
Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB1 and CB2 receptors	8
Gene expression profiling in Venous thromboembolism: Insights from publicly available datasets	7
Unveiling the distinctive variations in multi-omics triggered by TP53 mutation in lung cancer subtypes: An insight from interaction among intratumoral microbiota, tumor microenvironment, and pathology	7
An integrative analysis to identify pancancer epigenetic biomarkers	7
Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study	7
A novel ensemble approach with deep transfer learning for accurate identification of foodborne bacteria from hyperspectral microscopy	7
In-silico optimization of resveratrol interaction with nano-borophene: A DFT-guided study of supramolecular artistry	7
A global report on the dynamics of COVID-19 with quarantine and hospitalization: A fractional order model with non-local kernel	7
Replica-exchange optimization of antibody fragments	7
T5S1607 identified as a antibacterial FtsZ inhibitor：Virtual screening combined with bioactivity evaluation for the drug discovery	7
Prognostic significance of a 3-gene ferroptosis-related signature in lung cancer via LASSO analysis and cellular functions of UBE2Z	7
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors	7
MuSE: A deep learning model based on multi-feature fusion for super-enhancer prediction	7
Integration of 3D-QSAR, molecular docking, and machine learning techniques for rational design of nicotinamide-based SIRT2 inhibitors	7
Synergistic modeling of hemorrhagic dengue fever: Passive immunity dynamics and time-delay neural network analysis	7
Leveraging protein language model embeddings and logistic regression for efficient and accurate in-silico acidophilic proteins classification	7
Screening of the effective sites of Cichorium glandulosum against hyperuricemia combined with hyperlipidemia and its network pharmacology analysis	7
Integrated regulatory network based on lncRNA-miRNA-mRNA-TF reveals key genes and sub-networks associated with dilated cardiomyopathy	7
GTAMP-DTA: Graph transformer combined with attention mechanism for drug-target binding affinity prediction	7
Computational insights into irinotecan's interaction with UBE2I in ovarian and endometrial cancers	7
Implications of trinodal inhibitions and drug repurposing in MAPK pathway: A putative remedy for breast cancer	7
Multi-omics data integration and analysis pipeline for precision medicine: Systematic review	7
Cycle-ESM: Generation-assisted classification of antifungal peptides using ESM protein language model	7
DCSGMDA: A dual-channel convolutional model based on stacked deep learning collaborative gradient decomposition for predicting miRNA-disease associations	7
The interaction of methotrexate with the human C5a and its potential therapeutic implications	7
Global and local genomic features together modulate the spontaneous single nucleotide mutation rate	7
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach	7
MSFF-MA-DDI: Multi-Source Feature Fusion with Multiple Attention blocks for predicting Drug–Drug Interaction events	7
Editorial Board	6
Modeling codelivery of CD73 inhibitor and dendritic cell-based vaccines in cancer immunotherapy	6
Computational analyses of the interactome between TNF and TNFR superfamilies	6
Synthesis cost-optimal targeted mutant protein libraries	6
Mining channel-regulated peptides from animal venom by integrating sequence semantics and structural information	6
Ugi efficient synthesis of novel N–alkylated lipopeptides, antimicrobial properties and computational studies in Staphylococcus aureus via MurD antibacterial target	6
Editorial Board	6
SSA: Subset sum approach to protein β-sheet structure prediction	6
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition	6
Editorial Board	6
K1K2NN: A novel multi-label classification approach based on neighbors for predicting COVID-19 drug side effects	6
Cellular and molecular level host-pathogen interactions in Francisella tularensis: A microbial gene network study	6
Editorial Board	6
Identification of oil palm cis-regulatory elements based on DNA free energy and single nucleotide polymorphism density	6
Identifying cancer specific signaling pathways based on the dysregulation between genes	6
Editorial Board	6
IoT based healthcare system using fractional dung beetle optimization enabled deep learning for breast cancer classification	6
Exploring casual effects and shared molecular mechanism between psoriasis and liver cancer through Mendelian randomization and comprehensive bioinformatic analyses	6
Synthesis, in vitro cytotoxicity, molecular docking and ADME study of some indolin-2-one linked 1,2,3-triazole derivatives	6
An open set model for pest identification	6
The influence of oxoG on the electronic properties of ds-DNA. Damage versus mismatch: A theoretical approach	5
Inflammation inhibitory activity of green tea, soybean, and guava extracts during Sars-Cov-2 infection through TNF protein in cytokine storm	5
Computer-aided de novo design and optimization of novel potential inhibitors of HIV-1 Nef protein	5
Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking	5
Reduced protein sequence patterns in identifying key structural elements of dissimilatory sulfite reductase homologs	5
Real-to-bin conversion for protein residue distances	5
Multi-targeted therapeutic potential of stigmasterol from the Euphorbia ammak plant in treating lung and breast cancer	5
Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline	5
ScGSLC: An unsupervised graph similarity learning framework for single-cell RNA-seq data clustering	5

Molecular dynamics simulation study of gold nanosheet as drug delivery vehicles for anti-HIV-1 aptamers	5
SNSynergy: Similarity network-based machine learning framework for synergy prediction towards new cell lines and new anticancer drug combinations	5
Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations	5
Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors	5
Discovery of potential inhibitors targeting the kinase domain of polynucleotide kinase/phosphatase (PNKP): Homology modeling, virtual screening based on multiple conformations, and molecular dynamics	5
Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors	5
STRIDER: Steric hindrance and metal coordination identifier	5
HKFGCN: A novel multiple kernel fusion framework on graph convolutional network to predict microbe-drug associations	5
TransNeT-CGP: A cluster-based comorbid gene prioritization by integrating transcriptomics and network-topological features	5
Inferring gene regulatory network from single-cell transcriptomic data by integrating multiple prior networks	5
A prognosis-related based method for miRNA selection on liver hepatocellular carcinoma prediction	5
In silico exploration of CB2 receptor agonist in the management of neuroinflammatory conditions by pharmacophore modeling	5
The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain	5
Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents	5
A tag based joint extraction model for Chinese medical text	5
Early diagnosis of Parkinson’s disease: A combined method using deep learning and neuro-fuzzy techniques	5
Multiscale modeling of the cellular uptake of C6 peptide-siRNA complexes	5
Elucidation of escitalopram oxalate and related antidepressants as putative inhibitors of PTP4A3/PRL-3 protein in hepatocellular carcinoma: A multi-computational investigation	5
Interactions between DNA and the acridine intercalator: A computational study	5
Exploring the effectiveness of the TSR-based protein 3-D structural comparison method for protein clustering, and structural motif identification and discovery of protein kinases, hydrolases, and SARS	5
A promising in silico protocol to develop novel PPARγ antagonists as potential anticancer agents: Design, synthesis and experimental validation via PPARγ protein activity and competitive binding assay	5
HR-LCMS and evaluation of anti-diabetic activity of Hemidesmus indicus (anantmool): Kinetic study, and molecular modelling approach	4
Hybrid similarity based feature selection and cascade deep maxout fuzzy network for Autism Spectrum Disorder detection using EEG signal	4
Design, synthesis, in-vitro, in-silico, DFT and POM studies of a novel family of sulfonamides as potent anti-triple-negative breast cancer agents	4
Co-expression network and survival analysis of breast cancer inflammation and immune system hallmark genes	4
Cholinesterases, carbonic anhydrase inhibitory properties and in silico studies of novel substituted benzylamines derived from dihydrochalcones	4
cDNA cloning, expression and bioinformatical analysis of Tssk genes in tree shrews	4
Selectivity mechanism of GRK2/5 inhibition through in silico investigation	4
In silico analysis and prediction of transcription factors of the proteins interacting with astrocyte elevated gene-1	4
Structure-based virtual screening for novel potential selective inhibitors of class IIa histone deacetylases for cancer treatment	4
TAP 1.0: A robust immunoinformatic tool for the prediction of tumor T-cell antigens based on AAindex properties	4
Integrated transcriptomics and proteomics data analysis identifies CDH17 as a key cell surface target in colorectal cancer	4
In silico study of cancer stage-specific DNA methylation pattern in White breast cancer patients based on TCGA dataset	4
DeeProPre: A promoter predictor based on deep learning	4
Anti-proliferative 2,3-dihydro-1,3,4-thiadiazoles targeting VEGFR-2: Design, synthesis, in vitro, and in silico studies	4
Leukotriene B4 receptor 1 (BLT1) activation by leukotriene B4 (LTB4) and E resolvins (RvE1 and RvE2)	4
Molecular dynamic simulation analysis of SARS-CoV-2 spike mutations and evaluation of ACE2 from pets and wild animals for infection risk	4
Ensembling machine learning models to boost molecular affinity prediction	4
Cerebral aneurysm evolution modeling from microstructural computational models to machine learning: A review	4
Inference of gene regulatory networks based on the Light Gradient Boosting Machine	4
Generative Pre-trained Transformer (GPT) based model with relative attention for de novo drug design	4
A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures	4
Netting into the Sophoretin pool: An approach to trace GSTP1 inhibitors for reversing chemoresistance	4
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis	4
Interpretable single-cell transcription factor prediction based on deep learning with attention mechanism	4
Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β	4
Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methods	4
Application of immunoinformatics to develop a novel and effective multiepitope chimeric vaccine against Variovorax durovernensis	4
Cancer detection with various classification models: A comprehensive feature analysis using HMM to extract a nucleotide pattern	4
Bisbenzylisoquinolines from Cissampelos pareira L. as antimalarial agents: Molecular docking, pharmacokinetics analysis, and molecular dynamic simulation studies	4
Dissection of hubs and bottlenecks in a protein-protein interaction network	4
Amyloid β fibrils disruption by kolaviron: Molecular docking and extended molecular dynamics simulation studies	4
A comprehensive in Silico analysis of the functional and structural impact of single nucleotide polymorphisms (SNPs) in the human IL-33 gene	4
Could chroman-4-one derivative be a better inhibitor of PTR1? – Reason for the identified disparity in its inhibitory potency in Trypanosoma brucei and Leishmania major	4
Tuning hyperparameters of machine learning algorithms and deep neural networks using metaheuristics: A bioinformatics study on biomedical and biological cases	4
Computational prediction of the effects of non-synonymous single nucleotide polymorphisms on the GPI-anchor transamidase subunit GPI8p of Plasmodium falciparum	4
An ensemble learning framework for potential miRNA-disease association prediction with positive-unlabeled data	4
Computational approach for identification, characterization, three-dimensional structure modelling and machine learning-based thermostability prediction of xylanases from the genome of Aspergillus fum	3
OriC-ENS: A sequence-based ensemble classifier for predicting origin of replication in S. cerevisiae	3
Efficient machine learning model for predicting drug-target interactions with case study for Covid-19	3
Bioinformatics analysis and verification of gene targets for renal clear cell carcinoma	3
Constraint Guided Beta-Sheet Refinement for Protein Structure Prediction	3
An open source in silico workflow to assist in the design of fusion proteins	3
ECAmyloid: An amyloid predictor based on ensemble learning and comprehensive sequence-derived features	3
Computational investigation of 2, 4-Di Tert Butyl Phenol as alpha amylase inhibitor isolated from Coccinia grandis (L.) Voigt using molecular docking, and ADMET parameters	3
The role of human C5a as a non-genomic target in corticosteroid therapy for management of severe COVID19	3
Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2	3
Response to “Comments on the paper ‘Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics’”	3
predForm-Site: Formylation site prediction by incorporating multiple features and resolving data imbalance	3
Evaluation of potential MHC-I allele-specific epitopes in Zika virus proteins and the effects of mutations on peptide-MHC-I interaction studied using in silico approaches	3
Acknowledgements to 2020 Reviewers	3
In vitro and in silico evaluation of new thieno[2,3-d]pyrimidines as anti-cancer agents and apoptosis inducers targeting VEGFR-2	3
Identification of calcineurin as a predictor of oocyte quality and fertilization competence based on microarray data	3
Cnngeno: A high-precision deep learning based strategy for the calling of structural variation genotype	3
Peripheral blood mononuclear cell derived biomarker detection using eXplainable Artificial Intelligence (XAI) provides better diagnosis of breast cancer	3
The LCNetWork: An electronic representation of the mRNA-lncRNA-miRNA regulatory network underlying mechanisms of non-small cell lung cancer in humans, and its explorative analysis	3
A knowledge-transfer-based approach for combining ordinal regression and medical scoring system in the early prediction of sepsis with electronic health records	3
Screening and computational characterization of novel antimicrobial cathelicidins from amphibian transcriptomic data	3
Ensemble-based, high-throughput virtual screening of potential inhibitor targeting putative farnesol dehydrogenase of Metisa plana (Lepidoptera: Psychidae)	3
Machine learning prediction of 3CL SARS-CoV-2 docking scores	3
iR5hmcSC: Identifying RNA 5-hydroxymethylcytosine with multiple features based on stacking learning	3
Tensor improve equivariant graph neural network for molecular dynamics prediction	3
Integrative analysis of multi-omics data highlighted TP53 as a potential diagnostic and prognostic biomarker of survival in breast invasive carcinoma patients	3
SubFeat: Feature subspacing ensemble classifier for function prediction of DNA, RNA and protein sequences	3
EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus	3
Protein sequence profile prediction using ProtAlbert transformer	3
Silencing lung cancer genes using miRNAs identified by 7mer-seed matching	3
Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation	3
In silico explanation for the causalities of deleterious RNF213 SNPs in Moyamoya disease and insulin resistance	3
Structure-based screening of FDA-approved drugs and molecular dynamics simulation to identify potential leukocyte antigen related protein (PTP-LAR) inhibitors	3
From driver genes to gene families: A computational analysis of oncogenic mutations and ubiquitination anomalies in hepatocellular carcinoma	3
GEHGAN: CircRNA–disease association prediction via graph embedding an	3
An optimization algorithm for conformer generation based on the bond contribution ranking	3
Modelling the spread of covid-19 in the capital of Brazil using numerical solution and cellular automata	3
Targeting AR-positive breast cancer cells via drug repurposing approach	3