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Journal of Biomolecular Structure & Dynamics|August 12, 2020
Synthesis, characterization, alkaline phosphatase inhibition assay and molecular modeling studies of 1-benzylidene-2-(4-tert- butylthiazol-2-yl) hydrazinesHamid Aziz, Abid Mahmood, Sumera Zaib, et al.Journal of Biomolecular Structure & Dynamics|August 14, 2020
Prediction and evaluation of deleterious and disease causing non-synonymous SNPs (nsSNPs) in human NF2 gene responsible for neurofibromatosis type 2 (NF2)Brandon Havranek, Shahidul M IslamJournal of Biomolecular Structure & Dynamics|August 15, 2020
Identification of potential Leishmania chagasi superoxide dismutase allosteric modulators by structure-based computational approaches: homology modelling, molecular dynamics and pharmacophore-based virtual screeningBruno Cruz de Souza, Pedro Sousa Lacerda, Samuel Silva da Rocha Pita, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2020
Arylidene analogues as selective COX-2 inhibitors: synthesis, characterization, in silico and in vitro studiesDipti L Namera, Sampark S Thakkar, Parth Thakor, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2020
Exploring the binding mechanisms of inorganic magnetic nanocarrier containing L-Dopa with HSA protein utilizing multi spectroscopic techniquesNahid Shahabadi, Mahtab RazlansariJournal of Biomolecular Structure & Dynamics|August 18, 2020
Identification of the naphthoquinone derivative inhibitors binding site in heat shock protein 90: an induced-fit docking, molecular dynamics and 3D-QSAR studyClaudio Godoy-Castillo, Nicolas Bravo-Acuña, Gloria Arriagada, et al.Journal of Biomolecular Structure & Dynamics|August 18, 2020
Novel potent natural peroxidases inhibitors with in vitro assays, inhibition mechanism and molecular docking of phenolic compounds and alkaloidsKhedidja Benarous, Fatima Zohra Benali, Ikram Cherifa Bekhaoua, et al.Journal of Biomolecular Structure & Dynamics|August 18, 2020
Exploring 3-hydroxyflavone scaffolds as mushroom tyrosinase inhibitors: synthesis, X-ray crystallography, antimicrobial, fluorescence behaviour, structure-activity relationship and molecular modelling studiesJamshaid Ashraf, Ehsan Ullah Mughal, Amina Sadiq, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2020
In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for direct use in clinical trialsSeref Gul, Onur Ozcan, Sinan Asar, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2020
Exploring 3-Benzyloxyflavones as new lead cholinesterase inhibitors: synthesis, structure-activity relationship and molecular modelling simulationsEhsan Ullah Mughal, Amina Sadiq, Momna Ayub, et al.Pageof 935