Journal of Biomolecular Structure & Dynamics

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 2022-05-01 to 2026-05-01.)
ArticleCitations
Unearthing the inhibitory potential of phytochemicals from Lawsonia inermis L. and some drugs against dengue virus protein NS1: an in silico 77
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonization73
Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)66
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholi61
Deciphering the conformational stability of MazE7 antitoxin in Mycobacterium tuberculosis from molecular dynamics simulation study50
Supervised screening of Tecovirimat-like compounds as potential inhibitors for the monkeypox virus E8L protein48
Whole proteome analysis of MDR Klebsiella pneumoniae to identify mRNA and multiple epitope based vaccine targets against emerging nosocomial and lungs associated infecti47
Insight into crystal structures and identification of potential styrylthieno[2,3- b ]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided mod46
In silico screening of dicoumarols as potential Mur B enzyme inhibitors in Mycobacterium tuberculosis45
Using integrated bioinformatics, network pharmacology and molecular docking to explore the mechanisms underlying the antidepressant effect of celastrol45
Comparative molecular docking analysis for analyzing the inhibitory effect of Anakinra and Ustekinumab against IL17F44
In silico engineering of Trichoderma harzianum acetylesterase for enhanced thermal stability and efficiency39
Structural basis of multi-target interactions of Henna Dye Lawsone: an experimental and theoretical evaluation39
Switchable tetraplex elements in the heterogeneous nuclear ribonucleoprotein K promoter: micro-environment dictated structural transitions of G/C rich elements38
Structural and molecular investigation of the impact of S30L and D88N substitutions in G9R protein on coupling with E4R from Monkeypox virus (MPXV)37
Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA Arg37
Correction37
Antioxidative and ROS-dependent apoptotic effects of Cuscuta reflexa Roxb. stem against human lung cancer: network pharmacology and in vitro 37
Correction37
Synthesis, spectral characterisation, biocidal investigation, in-silico and molecular docking studies of 4-[(2-chloro-4-methylphenyl)carbamoyl]butanoic acid derived trio35
An outlook of docking analysis and structure-activity relationship of pyrimidine-based analogues as EGFR inhibitors against non-small cell lung cancer (NSCLC)35
Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics34
Comparative analysis of three-pillared and four-pillared synthetic glucose receptor using molecular dynamics simulations: a case study34
Structure-based identification of potential natural compound inhibitors targeting bacterial cytoskeleton protein FtsZ from Acinetobacter baumannii by computational studi33
From sleep to cancer to neurodegenerative disease: the crucial role of Hsp70 in maintaining cellular homeostasis and potential therapeutic implications33
Design, dynamic docking, synthesis, and in vitro validation of a novel DNA gyrase B inhibitor31
iHBPs-VWDC: variable-length window-based dynamic connectivity approach for identifying hormone-binding proteins31
Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme31
Genetic polymorphisms in Nrf2 and FoxO1: implications for antioxidant enzyme activity in diabetes31
Biological and molecular approaches of the degradation or decolorization potential of the hypersaline Lake Tuz Bacillus megaterium H2 isolate31
A reverse docking approach to explore the anticancer potency of natural compounds by interfering metastasis and angiogenesis31
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