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 2022-06-01 to 2026-06-01.)
ArticleCitations
Unearthing the inhibitory potential of phytochemicals from Lawsonia inermis L. and some drugs against dengue virus protein NS1: an in silico 81
Interfacing manganese-based carbonaceous nanocomposites with plasma components: insights on protein interaction, structure and opsonization74
Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)67
Switchable tetraplex elements in the heterogeneous nuclear ribonucleoprotein K promoter: micro-environment dictated structural transitions of G/C rich elements60
Computational analysis of structural and functional evaluation of the deleterious missense variants in the human CTLA4 gene51
Identification of deleterious nsSNPs in human HGF gene: in silico approach51
Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA Arg46
An outlook of docking analysis and structure-activity relationship of pyrimidine-based analogues as EGFR inhibitors against non-small cell lung cancer (NSCLC)46
Structural and molecular investigation of the impact of S30L and D88N substitutions in G9R protein on coupling with E4R from Monkeypox virus (MPXV)45
Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholi44
Role of triterpenoid derivatives from Centella asiatica as quantum chemical calculations41
Computational investigations into structure and function impact of novel mutations identified in targeted exons from ovarian cancer cell lines39
Artificial intelligence based virtual screening study for competitive and allosteric inhibitors of the SARS-CoV-2 main protease39
In silico and NMR studies on pharmaceutical compounds with therapeutic action against Myasthenia Gravis39
Field and atom-based 3D-QSAR models of chromone (1-benzopyran-4-one) derivatives as MAO inhibitors39
Identification of Zika virus NS2B-NS3 protease and NS5 polymerase inhibitors by structure-based virtual screening of FDA-approved drugs37
Design, dynamic docking, synthesis, and in vitro validation of a novel DNA gyrase B inhibitor37
Molecular insights of anticancer potential of usnic acid towards cervical cancer target proteins: An in silico validation for novel anti-cancer compound from lichens37
Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme37
A comprehensive examination of ACE2 receptor and prediction of spike glycoprotein and ACE2 interaction based on in silico analysis of ACE2 receptor35
A simulation-based approach to target Zika virus RNA-dependent RNA polymerase with marine compounds for antiviral development35
The promising impact of Bemcentinib and Repotrectinib on sleep impairment in Alzheimer’s disease35
In silico screening of dicoumarols as potential Mur B enzyme inhibitors in Mycobacterium tuberculosis34
Oleanolic acid purified from the stem bark of Olax subscorpioidea Oliv. inhibits the function and catalysis of human 17 β 34
Synthesis, structural, characterization, antibacterial and antibiotic modifying activity, ADMET study, molecular docking and dynamics of chalcone ( E )-1-(4-aminophenyl)34
Structural basis of multi-target interactions of Henna Dye Lawsone: an experimental and theoretical evaluation32
The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro , and 32
Comparative homology ofPleurotus ostreatuslaccase enzyme: Swiss model or Modeller?32
Correction31
In silico studies for improving target selectivity of anti-malarial dual falcipain inhibitors vis-à-vis human cathepsins31
Molecular insights to the anti-COVID-19 potential of α-, β- and γ-cyclodextrins31
Using integrated bioinformatics, network pharmacology and molecular docking to explore the mechanisms underlying the antidepressant effect of celastrol31
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