OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 30. 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 2021-05-01 to 2025-05-01.)

Article	Citations
A simulation-based approach to target Zika virus RNA-dependent RNA polymerase with marine compounds for antiviral development	81
Accelerating the identification of the allergenic potential of plant proteins using a stacked ensemble-learning framework	76
Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studi	73
A reverse docking approach to explore the anticancer potency of natural compounds by interfering metastasis and angiogenesis	60
Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies	57
A comprehensive examination of ACE2 receptor and prediction of spike glycoprotein and ACE2 interaction based on in silico analysis of ACE2 receptor	53
Molecular dynamics simulations of the SARS-CoV-2 Spike protein and variants of concern: structural evidence for convergent adaptive evolution	50
Efficient proton shuttle makes SazCA an excellent CO₂ hydration enzyme	45
An insight into the binding and inhibition of eye ζ-crystallin by the environmental toxin arsenic: implications in eye diseases	43
Structural and functional characterization of RNA dependent RNA polymerase of Macrobrachium rosenbergii nodavirus (MnRdRp)	42
Discovery of potential phytochemicals as inhibitors of TcdB, a major virulence factors of Clostridioides difficile	41
Physiological models to study the effect of molecular crowding on multi-drug bound proteins: insights from SARS-CoV-2 main protease	41
Medicinal plant compounds as promising inhibitors of coronavirus (COVID-19) main protease: anin silicostudy	41
Insight into crystal structures and identification of potential styrylthieno[2,3- b ]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided mod	39
Structure-based identification of potential natural compound inhibitors targeting bacterial cytoskeleton protein FtsZ from Acinetobacter baumannii by computational studi	39
Switchable tetraplex elements in the heterogeneous nuclear ribonucleoprotein K promoter: micro-environment dictated structural transitions of G/C rich elements	38
Interactions between phenolic constituents of Scutellaria salviifolia and key targets associated with inflammation: network pharmacology, molecular docking analysis and in vitro assays	37
Platinum (II) complex of isopentyl glycine ligand: DNA binding, molecular dynamic, and anticancer activity against breast cancer	37
Design, dynamic docking, synthesis, and in vitro validation of a novel DNA gyrase B inhibitor	35
Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)	34
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonization	34
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholi	34
Antivirals virtual screening to SARS-CoV-2 non-structural proteins	33
iHBPs-VWDC: variable-length window-based dynamic connectivity approach for identifying hormone-binding proteins	33
In silico mutagenesis on active site residues of Acinetobacter haemolyticus lipase KV1 for improved binding to polyethylene terephthalate (PET)	32

Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA _Arg	32
In silico designed microtubule-stabilizer drugs against tauopathy in Alzheimer’s disease	32
Correction	32
Genetic polymorphisms in Nrf2 and FoxO1: implications for antioxidant enzyme activity in diabetes	32
Correction	30
Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach	30
In silico analysis of identified molecules using LC–HR/MS of Cupressus sempervirens L. ethyl acetate fraction against three monkeypox virus targets	30
Network pharmacology and multitarget analysis of Nigella sativa in the management of diabetes and obesity: a computational study	30