OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 29. 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 2021-08-01 to 2025-08-01.)

Article	Citations
Structural and functional characterization of RNA dependent RNA polymerase of Macrobrachium rosenbergii nodavirus (MnRdRp)	84
Discovery of potential phytochemicals as inhibitors of TcdB, a major virulence factors of Clostridioides difficile	62
Platinum (II) complex of isopentyl glycine ligand: DNA binding, molecular dynamic, and anticancer activity against breast cancer	54
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonization	51
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholi	51
iHBPs-VWDC: variable-length window-based dynamic connectivity approach for identifying hormone-binding proteins	48
Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)	48
Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA _Arg	47
Genetic polymorphisms in Nrf2 and FoxO1: implications for antioxidant enzyme activity in diabetes	46
In silico designed microtubule-stabilizer drugs against tauopathy in Alzheimer’s disease	45
Correction	42
Correction	42
Structure-based molecular docking and molecular dynamics simulations study for the identification of dipeptidyl peptidase 4 inhibitors in type 2 diabetes	41
Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach	41
Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics	40
Molecular insights to the anti-COVID-19 potential of α-, β- and γ-cyclodextrins	38
Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic region	38
Antioxidative and ROS-dependent apoptotic effects of Cuscuta reflexa Roxb. stem against human lung cancer: network pharmacology and in vitro	38
Evaluating chemotherapeutic potential of soya-isoflavonoids against high penetrance genes in triple-negative breast cancer	36
A reverse docking approach to explore the anticancer potency of natural compounds by interfering metastasis and angiogenesis	35
Toxicity of anthraquinone derivatives in relation to non-linear optical properties and electron correlation	35
Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors	33
Dual targeting in prostate cancer with phytoconstituents as a potent lead: a computational approach for novel drug discovery	33
Temperature-dependent hydration behavior of aqueous lysine: an approach towards protein binding through dielectric spectroscopy	33
Unearthing the inhibitory potential of phytochemicals from Lawsonia inermis L. and some drugs against dengue virus protein NS1: an in silico	32

Deciphering the conformational stability of MazE7 antitoxin in Mycobacterium tuberculosis from molecular dynamics simulation study	32
Structural basis of multi-target interactions of Henna Dye Lawsone: an experimental and theoretical evaluation	32
Molecular insights of anticancer potential of usnic acid towards cervical cancer target proteins: An in silico validation for novel anti-cancer compound from lichens	32
Rutaretin1′-(6″-sinapoylglucoside): promising inhibitor of COVID 19 m^pro catalytic dyad from the leaves of Pittosporum dasycaulon miq (Pittosporaceae)	31
In silico screening of dicoumarols as potential Mur B enzyme inhibitors in Mycobacterium tuberculosis : molecular docki	29
In-silico identification of potential peptide inhibitors to disrupt NLRP3 inflammasome complex formation by blocking NLRP3-ASC pyrin-pyrin interactions	29