Computational Biology and Chemistry

Papers
(The H4-Index of Computational Biology and Chemistry is 26. 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
Investigation of mesenchymal stem cell secretome on breast cancer gene expression: A bioinformatic approach to identify differentially expressed genes, functional networks, and potential therapeutic t180
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein110
Computational insights into irinotecan's interaction with UBE2I in ovarian and endometrial cancers82
The interaction of methotrexate with the human C5a and its potential therapeutic implications67
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic50
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 studies47
Implications of trinodal inhibitions and drug repurposing in MAPK pathway: A putative remedy for breast cancer46
Identification and validation of biomarkers in Alzheimer's disease based on machine learning algorithms and single-cell sequencing analysis42
Multi-scale DNA language model improves 6 mA binding sites prediction41
Amino acid sequence-based IDR classification using ensemble machine learning and quantum neural networks41
Identification of angiogenesis-related subtypes and risk models for predicting the prognosis of gastric cancer patients37
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification36
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks35
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-234
Editorial Board34
Editorial Board32
Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction32
Computational investigations of indanedione and indanone derivatives in drug discovery: Indanone derivatives inhibits cereblon, an E3 ubiquitin ligase component30
Editorial Board30
Integrated consensus genetic map and genomic scaffold re-ordering of oil palm (Elaeis guineensis) genome30
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach29
Editorial Board29
Using the Reactome Graph Database to generate pathway fingerprints for cancer-related genes, and using the fingerprints to gain insights into cancer, comorbidity, and cancer gene networks28
Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors27
Understanding the IDH1 missense SNPs on expression of genes involved in Glioblastoma multiforme27
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition27
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