Network analysis, sequence and structure dynamics of key proteins of coronavirus and human host, and molecular docking of selected phytochemicals of nine medicinal plants Toluwase Hezekiah Fatoki , Omodele Ibraheem , Ibukun Oladejo Ogunyemi , Afolabi Clement Akinmoladun , Harriet U. Ugboko , Catherine Joke Adeseko , Oladoja A. Awofisayo , Sunday Joseph Olusegun & Jesupemi Mercy Enibukun To learn about our use of cookies and how you can manage your cookie settings, please see our July 9, 2020: Journal of Biomolecular Structure & Dynamics # 3 Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor. Journal Title Abbreviations: J BIOMOL STRUCT DYN: ISSN: 0739-1102: E-ISSN: 1538-0254: h-index : 58: CiteScore: CiteScore SJR SNIP … Register to receive personalised research and resources by emailVirtual screening by 2-D fingerprints, shape and docking for discovering new chemotypes of activator protein-1 inhibitorsSynthesis of niobium substituted cobalt-nickel nano-ferrite (CoSynthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine clusterMolecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exositesStructure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimationMulti-spectroscopic studies of the interaction of new synthesized platin complex with human carrier protein of serum albuminIn silico studies of the inhibition mechanism of dengue with papainExploring the interaction of Peloruside-A with drug resistant αβII and αβIII tubulin isotypes in human ovarian carcinoma using a molecular modeling approachMolecular dynamics simulations of copper binding to N-terminus mutants of amyloid-βMolecular dynamics simulations to decipher the structural and functional consequences of pathogenic missense mutations in the galactosylceramidase (GALC) protein causing Krabbe’s diseaseAnalyzing organophosphate pesticide-serum albumin binding interaction: a combined STD NMR and molecular docking studySynthesis, evaluation, molecular dynamics simulation and targets identification of novel pyrazole-containing imide derivativesEffect of monovalent ions on the thermal stability of bovine serum albumin in dimethylsulfoxide aqueous solutions. (2015). Click here to see the Section Editorial Board of "Molecular Structure and Dynamics". 244-252. spectroscopic and molecular docking study, Journal of Biomolecular Structure and Dynamics, DOI: 10.1080/07391102.2018.1559764 To link to this article: https://doi.or g/10.1080/07391102.2018.1559764 Following special issues within this section are currently open for submissions: Biomolecular Structure and Drug Design. Journal Profile; Journal Title: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (According to the latest JCR data, this journal is not indexed in the JCR.) Latest articles are citable using the author(s), year of online publication, article title, journal and article DOI. Journal of Biomolecular Structure and Dynamics Publishes international research on biological structure and dynamics, including atomic structural biology, bioinformatics, genomics and biological networks. Browse the latest articles and research from Journal of Biomolecular Structure and Dynamics Special Issues. A section of Biomolecules (ISSN 2218-273X). [JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS] Hello, you are Visitor Number 13503 on this page. Activity: Publication peer-review and editorial work types › Peer review responsibility To learn about our use of cookies and how you can manage your cookie settings, please see our Publishes international research on biological structure and dynamics, including atomic structural biology, bioinformatics, genomics and biological networks.Register to receive personalised research and resources by emailStructural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitorsHit identification and drug repositioning of potential non-nucleoside reverse transcriptase inhibitors by structure-based approach using computational tools (part II)The guanidiniocarbonylpyrrole–fluorophore conjugates as theragnostic tools for dipeptidyl peptidase III monitoring and inhibitionFormation of the inclusion complex of water soluble fluorescent calix[4]arene and naringenin: solubility, cytotoxic effect and molecular modeling studiesDesign, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitorsPrecise design of highly isoform-selective p21-activated kinase 4 inhibitors: computational insights into the selectivity mechanism through molecular dynamics simulation and binding free energy calculationAn integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculationsStructural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation studyInsights into the interaction mechanisms of estrogen-related receptor alpha (ERRα) with ligands via molecular dynamics simulationsDesigning new generation of potent inhibitors against membrane-type matrix metalloproteinase-2: a computational effort against multiple myelomaEvaluation of pyrazolopyrimidine derivatives as microtubule affinity regulating kinase 4 inhibitors: Towards therapeutic management of Alzheimer’s diseaseAminoacid substitutions in the glycine zipper affect the conformational stability of amyloid beta fibrilsHow oncogenic mutations activate human MAP kinase 1 (MEK1): a molecular dynamics simulation studyRibonucleic acid (RNA) condensation by thermal cycling with metal cations: yield of nanoparticles and their applicability for transfectionReappraisal of FDA approved drugs against Alzheimer’s disease based on differential gene expression and protein interaction network analysis: an in silico approachIdentification of potential cruzain inhibitors using Molecular dynamics simulations reveal the determinants of cyclin-dependent kinase 2 inhibition by 5-nitrosopyrimidine derivativesEffect of berberine hydrochloride-functionalized gold nanoparticles on calf thymus DNA: a biophysical studyExploring the structural interaction of BSA with amine functionalized ruthenium(II) metal complexExploring the allosteric mechanism of protein tyrosine phosphatase 1B by molecular dynamics simulationsWhy double-stranded RNA with 5′-monophosphate is a poor binder to retinoic acid-inducible gene-I with respect to 5′-hydroxyl analogue?Unravelling the interaction of a phosphodiesterase inhibitor, aminophylline with human serum albumin: implication of photoilluminated riboflavin upon binding

Manish Kumar Tripathi, … We use cookies to improve your website experience. 33, No.