OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Computer-Aided Molecular Design is 16. 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 2022-08-01 to 2026-08-01.)

Article	Citations
Impact of physical activity on the hypothalamic–pituitary–gonadal axis in older males: a comparative and AI-based predictive modeling study of demographic factors and stress markers	101
Computational peptide discovery with a genetic programming approach	54
Reshaping globular dynamics of S. aureus pyruvate kinase via bond restraints to allosteric sites	35
GPCRLigNet: rapid screening for GPCR active ligands using machine learning	31
Computational investigation of functional water molecules in GPCRs bound to G protein or arrestin	31
Integrated strategy for screening direct Keap1-Nrf2 PPI inhibitors from traditional Chinese medicine: a case study of Achyranthis bidentatae Radix	28
Interconversion of the (+)-O-desmethyltramadol to the lowest-energy conformer when coupled to µ-opioid receptor: comprehensive analysis using in silico molecular modeling	28
GADRC: a graph-based approach for drug repositioning with deep residual networks and computational feature-guided undersampling	25
QM assisted ML for 19F NMR chemical shift prediction	22
In silico exploration of natural xanthone derivatives as potential inhibitors of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) replication and cellular entry	22
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo	21
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: II. regression and dielectric constant	21
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios	20
PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams	19
Comprehensive analysis of beta-lactamase genes in clinical strains of Escherichia coli and Klebsiella pneumoniae: molecular characterization, and in Silico predictions	18
Multimodal computational approaches coupled with experimental assays to identify flavonoids as potent inhibitors of diabetes and AGEs	17
Design, synthesis, pharmacological evaluation and computational modeling of 4-formyl-2-nitrophenyl quinoline-8-sulfonate derived thiosemicarbazones as antidiabetic agents	16
Harnessing formaldehyde detection: novel metal-doped coronene sensors to combat pollution and enable early lung cancer diagnosis	16