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Journal of Biomolecular Structure & Dynamics|December 28, 2020
Role of Thr199 residue in human β-carbonic anhydrase-II pH-dependent activity elucidated by microsecond simulation analysisPulala Raghuveer Yadav, Syed Hussain Basha, Pavan Kumar PindiJournal of Biomolecular Structure & Dynamics|December 28, 2020
Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlationMeenakshi Duhan, Jayant Sindhu, Parvin Kumar, et al.Journal of Biomolecular Structure & Dynamics|December 28, 2020
Prediction of potential inhibitors against SARS-CoV-2 endoribonuclease: RNA immunity sensingNihad A M Al-Rashedi, Murad G Munahi, Laith Ah ALObaidiJournal of Biomolecular Structure & Dynamics|December 21, 2020
Molecular docking and dynamic simulation to identify potential phytocompound inhibitors for EGFR and HER2 as anti-breast cancer agentsH Prabhavathi, K R Dasegowda, K H Renukananda, et al.Journal of Biomolecular Structure & Dynamics|December 21, 2020
Synthesis of carbazole based α-aminophosphonate derivatives: design, molecular docking and in vitro cholinesterase activitySarfaraz Shaikh, Pratik Dhavan, Pinky Singh, et al.Journal of Biomolecular Structure & Dynamics|December 31, 2020
Ensemble-based high-throughput virtual screening of natural ligands using the Super Natural-II database against cell-wall protein dTDP-4-dehydrorhamnose reductase (RmlD) in Mycobacterium tuberculosisRahul Ravichandran, Nor Farrah Wahidah Ridzwan, Saharuddin Bin MohamadJournal of Biomolecular Structure & Dynamics|October 23, 2020
Molecular docking and molecular dynamics simulation of Bacillus thuringiensis dehalogenase against haloacids, haloacetates and chlorpyrifosHabeebat Adekilekun Oyewusi, Fahrul Huyop, Roswanira Abdul WahabJournal of Biomolecular Structure & Dynamics|October 23, 2020
In silico identification of small molecule modulators for disruption of Hsp90-Cdc37 protein-protein interaction interface for cancer therapeutic applicationPrajakta Prakash Dike, Shovonlal Bhowmick, Gaber E Eldesoky, et al.Journal of Biomolecular Structure & Dynamics|December 4, 2020
Antimicrobial, cytotoxicity, molecular modeling and DNA cleavage/binding studies of zinc-naproxen complex: switching DNA binding mode of naproxen by coordination to zinc ionAli Akbar Khandar, Zeinab Mirzaei-Kalar, Nahid Shahabadi, et al.Journal of Biomolecular Structure & Dynamics|December 4, 2020
Secondary structural analysis of non-mulberry silk fibroin nanoparticles synthesized by using microwave and acetone methodPrithvi Asapur, Santosh Kumar Mahapatra, Indrani BanerjeePageof 935