OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 27. 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 2021-03-01 to 2025-03-01.)

Article	Citations
Simulation analysis of selective alanine mutation effect on stability of human prion protein	62
Revealing the binding mechanism of BACE1 inhibitors through molecular dynamics simulations	59
Synthesis, antimicrobial properties and in silico evaluation of coumarin derivatives mediated by 1,4-dibromobutane	57
Potential diagnostic value of serum microRNAs for 19 cancer types: a meta-analysis of bioinformatics data	55
Comparative anti-Diabetic potential of phytocompounds from Dr. Duke's phytochemical and ethnobotanical database and standard antidiabetic drugs against diabetes hyperglycemic target proteins: an	55
In vitro and in silico binding studies of phytochemical isochroman with calf thymus DNA using multi-spectroscopic and computational modelling techniques	54
Molecular insights into inhibiting effects of lignin on cellulase investigated by molecular dynamics simulation	47
System biology analysis of endosulfan biodegradation in bacteria and its effect in other living systems: modeling and simulation studies	47
Computational choreography: dissecting the dance of hydrogen bonding and π–π stacking in the fluorescence discrimination mechanism of ciprofloxacin with supramolecular assembly	46
Unraveling the ligand specificity and promiscuity of the Staphylococcus aureus NorA efflux pump: a computational study	39
Computational insights into dynamics and conformational stability of N-acetylmannosamine kinase mutations	39
Synthesis, structural, characterization, antibacterial and antibiotic modifying activity, ADMET study, molecular docking and dynamics of chalcone ( E )-1-(4-aminophenyl)	37
Self-assembly of soybean peroxidase nanohybrid for activity enhancement and dye decolorization: experimental and computational studies	35
Comparative molecular docking analysis for analyzing the inhibitory effect of Anakinra and Ustekinumab against IL17F	33
Parallel actin monomers in the 8S complex of actin–INF2	32
Multiomics-based classifier to decipher immune landscape of uveal melanoma and predict patient outcomes	32
In-silico discovery of inhibitors against human papillomavirus E1 protein	31
The potential of some functional group compounds substituted 8-Manzamine A as RSK1 inhibitors: molecular docking and molecular dynamics simulations	31
MERS virus spike protein HTL-epitopes selection and multi-epitope vaccine design using computational biology	30
In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamic	30
Integrative transcriptome analysis of triple negative breast cancer profiles for identification of druggable targets	30
Investigating the role of functional mutations in leucine binding to Sestrin2 in aging and age-associated degenerative pathologies using structural and molecular simulation approaches	30
A ‘deep dive’ into the SARS-Cov-2 polymerase assembly: identifying novel allosteric sites and analyzing the hydrogen bond networks and correlated dynamics	29
Discovery of azaleatin as a potential allosteric inhibitor for dengue NS2B-NS3 protease using in vitro and in silico studies	29
Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress	28

Synthesis, crystal structure, cytotoxicity, in-detail experimental and computational CT-DNA interaction studies of 2-picolinate Pd(II) and Pt(II) complexes	27
Therapeutic efficacy of α-lactalbumin coated oleic acid based liposomes against colorectal carcinoma in Caco-2 cells and DMH-treated albino rats	27