The Journal of Biomolecular Structure and Dynamics welcomes manuscripts on biological structure, dynamics, interactions and expression. The Journal is one of the leading publications in high end computational science, atomic structural biology, bioinformatics, virtual drug design, genomics and biological networks.
《生物分子结构与动力学杂志》欢迎有关生物结构、动力学、相互作用和表达的稿件。该杂志是高端计算科学、原子结构生物学、生物信息学、虚拟药物设计、基因组学和生物网络领域的领先出版物之一。
Decreasing the immunogenicity of arginine deiminase enzyme via structure‐based computational analysis
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1431151
Computational approach towards understanding structural and functional role of cytokinin oxidase/dehydrogenase 2 (CKX2) in enhancing grain yield in rice plant
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1597771
Schiff base clubbed benzothiazole: synthesis, potent antimicrobial and MCF-7 anticancer activity, DNA cleavage and computational study
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1621213
Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1567385
Novel coumarin derivatives as potent acetylcholinesterase inhibitors: insight into efficacy, mode and site of inhibition
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1465853
Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1495576
Spectroscopic and computational approaches to unravel the mode of binding between a isoflavone, biochanin-A and calf thymus DNA
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1442748
Design of metronidazole derivatives and flavonoids as potential non-nucleoside reverse transcriptase inhibitors using combined ligand- and structure-based approaches
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1614094
Identification of human tau-tubulin kinase 1 inhibitors: an integrated e-pharmacophore-based virtual screening and molecular dynamics simulation
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1590242
Delineating the conformational dynamics of intermediate structures on the unfolding pathway of β-lactoglobulin in aqueous urea and dimethyl sulfoxide
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1695669
HHV-5 epitope: A potential vaccine candidate with high antigenicity and large coverage
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1477620
Molecular mechanism study of several inhibitors binding to BRD9 bromodomain based on molecular simulations
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1502097
Insights into structural dynamics of allosteric binding sites in HCV RNA-dependent RNA polymerase
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1614480
Spectroscopic methods and in silico analyses using density functional theory to characterize and identify piperine alkaloid crystals isolated from pepper (Piper Nigrum L.)
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1639547
Molecular docking and dynamics studies on novel benzene sulfonamide substituted pyrazole-pyrazoline analogues as potent inhibitors of Plasmodium falciparum Histo aspartic protease
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1654923
Structural exploration of viral matrix protein 40 interaction with the transition metal ions (Ag+ and Cu2+)
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1498803
Screening of broad spectrum natural pesticides against conserved target arginine kinase in cotton pests by molecular modeling
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1447514
The identification of active compounds in Ganoderma lucidum var. antler extract inhibiting dengue virus serine protease and its computational studies
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1678523
Five novel palladium(II) complexes of 8-hydroxyquinoline and amino acids with hydrophobic side chains: synthesis, characterization, cytotoxicity, DNA- and BSA-interaction studies
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1651219
Haloadaptation: insights from comparative modeling studies between halotolerant and non-halotolerant dehalogenases
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1657498
Understanding the binding of quinoline amines with human serum albumin by spectroscopic and induced fit docking methods
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1496141
Investigating the selectivity of potential new inhibitors of dihydrofolate reductase from Yersinia pestis designed by molecular modeling
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1452796
Stability, conformational plasticity, oligomerization behaviour and equilibrium unfolding intermediates of the Ebola virus matrix protein VP40
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1671226
Analyzing aggregation propensities of clinically relevant PTEN mutants: a new culprit in pathogenesis of cancer and other PTENopathies
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1630005
Effect of thermostable mutations on the neurotensin receptor 1 (NTSR1) activation state
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1573705
Moleculer dynamics simulaiton revealed reciever domain of Acinetobacter baumannii BfmR enzyme as the hot spot for future antibiotics designing
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1498805
Theoretical insight into the multiple interactions of quinazoline inhibitors with breast cancer resistance protein (BCRP/ABCG2)
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1677503
Binding, selectivity and sequence recognition of matrix metalloproteinase-2 to oligopeptides
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1578694
A double-edged sword: supramolecular complexes of triazavirine display multicenter binding effects which influence aggregate formation
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1507837
Interaction of aspartic acid and asparagine with RNA nucleobases: a quantum chemical view
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1592025
Identifying potential entry inhibitors for emerging Nipah virus by molecular docking and chemical-protein interaction network
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1696705
Multiscale simulation of the interaction of calreticulin-thrombospondin-1 complex with a model membrane microdomain
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1433065
Virtual screening to identify novel potential inhibitors for Glutamine synthetase of Mycobacterium tuberculosis
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1695670
Bindings of PPARγ ligand-binding domain with 5-cholesten-3β, 25-diol, 3-sulfate: accurate prediction by molecular simulation
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1620129
Membrane partitioning of peptide aggregates: coarse-grained molecular dynamics simulations
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1581660
Temperature dependent dynamics in highly homologous adenylate kinases
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1477622
Erratum
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1441625
Effect of bromine atom on the different tautomeric forms of microhydrated 5-bromouracil, in the DNA:RNA microhelix and in the interaction with human proteins
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1704878
3D-QSARs and molecular dynamics simulation studies on induced fit binding of flavones to human aldose reductase
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1592023
In silico site-directed mutagenesis of neutralizing mAb 4C4 and analysis of its interaction with G-H loop of VP1 to explore its therapeutic applications against FMD
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1494631
Discovery of potent apoptosis signal-regulating kinase 1 inhibitors via integrated computational strategy and biological evaluation
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1680439
Design of galardine analogs as putative psudolysin inhibitors based on ab initio fragment molecular orbital calculations
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1656672
Cationic porphyrins as destabilizer of a G-quadruplex located at the promoter of human MYH7 β gene
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1689850
The affinity of DNA sequences containing R5Y5 motif and TA repeats with 10.5-bp periodicity to histone octamer in vitro
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1477621
Conserved cysteine variants of metagenomic derived polygalacturonase concurrently shift its optima at acidic pH and enhanced thermostability: structural and functional analysis
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1426045
An in silico study of the citrus dioxygenases CCD4 family substrates
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1477619
Neighboring base sequence effect on DNA damage
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1659186
Computational insights into the interaction of small molecule inhibitors with HRI kinase domain
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2018.1465850
Structure-based methoxyflavone derivatives with potent inhibitory activity against various influenza neuraminidases
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1680436
Regulation mechanism of lysC riboswitch in gram-positive bacterium Bacillus subtilis
来源期刊：Journal of Biomolecular Structure and DynamicsDOI：10.1080/07391102.2019.1639546
