OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 31. 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 2021-06-01 to 2025-06-01.)

Article	Citations
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	82
Structural and functional characterization of RNA dependent RNA polymerase of Macrobrachium rosenbergii nodavirus (MnRdRp)	79
Physiological models to study the effect of molecular crowding on multi-drug bound proteins: insights from SARS-CoV-2 main protease	60
Discovery of potential phytochemicals as inhibitors of TcdB, a major virulence factors of Clostridioides difficile	60
Structure-based identification of potential natural compound inhibitors targeting bacterial cytoskeleton protein FtsZ from Acinetobacter baumannii by computational studi	55
Switchable tetraplex elements in the heterogeneous nuclear ribonucleoprotein K promoter: micro-environment dictated structural transitions of G/C rich elements	52
Platinum (II) complex of isopentyl glycine ligand: DNA binding, molecular dynamic, and anticancer activity against breast cancer	47
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonization	44
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholi	44
Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA _Arg	43
iHBPs-VWDC: variable-length window-based dynamic connectivity approach for identifying hormone-binding proteins	43
Genetic polymorphisms in Nrf2 and FoxO1: implications for antioxidant enzyme activity in diabetes	43
Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)	43
In silico designed microtubule-stabilizer drugs against tauopathy in Alzheimer’s disease	41
Correction	40
Correction	39
Network pharmacology and multitarget analysis of Nigella sativa in the management of diabetes and obesity: a computational study	38
Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach	36
Deciphering the conformational stability of MazE7 antitoxin in Mycobacterium tuberculosis from molecular dynamics simulation study	35
Structure-based molecular docking and molecular dynamics simulations study for the identification of dipeptidyl peptidase 4 inhibitors in type 2 diabetes	34
Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic region	34
Temperature-dependent hydration behavior of aqueous lysine: an approach towards protein binding through dielectric spectroscopy	34
Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics	34
Molecular insights to the anti-COVID-19 potential of α-, β- and γ-cyclodextrins	34
Evaluating chemotherapeutic potential of soya-isoflavonoids against high penetrance genes in triple-negative breast cancer	33

Antioxidative and ROS-dependent apoptotic effects of Cuscuta reflexa Roxb. stem against human lung cancer: network pharmacology and in vitro	33
A comprehensive immunoinformatic analysis of chitin deacetylase’s and MP88 for designing multi-epitope vaccines against Cryptococcus neoformans	33
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
Toxicity of anthraquinone derivatives in relation to non-linear optical properties and electron correlation	32
Rutaretin1′-(6″-sinapoylglucoside): promising inhibitor of COVID 19 m^pro catalytic dyad from the leaves of Pittosporum dasycaulon miq (Pittosporaceae)	31
Unearthing the inhibitory potential of phytochemicals from Lawsonia inermis L. and some drugs against dengue virus protein NS1: an in silico	31
In-silico identification of potential peptide inhibitors to disrupt NLRP3 inflammasome complex formation by blocking NLRP3-ASC pyrin-pyrin interactions	31
Structural basis of multi-target interactions of Henna Dye Lawsone: an experimental and theoretical evaluation	31
In silico screening of dicoumarols as potential Mur B enzyme inhibitors in Mycobacterium tuberculosis : molecular docki	31