Computational Biology and Chemistry

Papers
(The H4-Index of Computational Biology and Chemistry is 23. 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 2020-11-01 to 2024-11-01.)
ArticleCitations
A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in component-based Chinese medicine121
Tuning hyperparameters of machine learning algorithms and deep neural networks using metaheuristics: A bioinformatics study on biomedical and biological cases96
Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates84
BERT-Promoter: An improved sequence-based predictor of DNA promoter using BERT pre-trained model and SHAP feature selection58
A Recurrent Neural Network model to predict blood–brain barrier permeability49
Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay44
Exploration of the mechanism of Zisheng Shenqi decoction against gout arthritis using network pharmacology41
Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)34
A global report on the dynamics of COVID-19 with quarantine and hospitalization: A fractional order model with non-local kernel33
Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface31
Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease30
Cholinesterases, carbonic anhydrase inhibitory properties and in silico studies of novel substituted benzylamines derived from dihydrochalcones30
Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV30
Atom counting method for determining elemental composition of viruses and its applications in biothermodynamics and environmental science29
Efficient machine learning model for predicting drug-target interactions with case study for Covid-1929
LMI-DForest: A deep forest model towards the prediction of lncRNA-miRNA interactions27
Genome-wide analysis of the MADS-Box gene family in Chrysanthemum27
Computational modeling of imines based anti-oxidant and anti-esterases compounds: Synthesis, single crystal and In-vitro assessment25
Robust biomarker screening from gene expression data by stable machine learning-recursive feature elimination methods25
Exploring of antioxidant and antibacterial properties of novel 1,3,4-thiadiazole derivatives: Facile synthesis, structural elucidation and DFT approach to antioxidant characteristics24
lncRNA-miRNA-mRNA interaction network for colorectal cancer; An in silico analysis24
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic24
Apache Spark based kernelized fuzzy clustering framework for single nucleotide polymorphism sequence analysis23
Identification of human microRNA-disease association via hypergraph embedded bipartite local model23
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