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Journal of Biomolecular Structure & Dynamics|March 23, 2019
Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approachZohre Hasanzade, Heidar RaissiJournal of Biomolecular Structure & Dynamics|March 22, 2019
Connecting the dots in the mechanism of action of Cucurbitacin E (CurE) - path analysis and steered molecular dynamics reveal the precise site of entry and the passage of CurE in filamentous actinL Roopa, P S Akshai, R Pravin KumarJournal of Biomolecular Structure & Dynamics|March 22, 2019
Computational approach towards understanding structural and functional role of cytokinin oxidase/dehydrogenase 2 (CKX2) in enhancing grain yield in rice plantGayatri Gouda, Manoj Kumar Gupta, Ravindra Donde, et al.Journal of Biomolecular Structure & Dynamics|February 27, 2019
An oxidodiperoxido vanadium-based artificial nuclease: DNA binding and cleavage studiesHaimanti Adhikari, Rina Ghosh, Kalyan K MukherjeaJournal of Biomolecular Structure & Dynamics|August 27, 2019
Binding of Cys2His2 transcription factors with operator DNA: functional role of linkers between Zn-fingersYuri N Chirgadze, Victor V IvanovJournal of Biomolecular Structure & Dynamics|August 27, 2019
Molecular investigation against the resistant mechanism of PncA mutated pyrazinamide resistance and insight into the role of pH environment for pyrazinamide activationGaurava Srivastava, M P Darokar, Ashok SharmaJournal of Biomolecular Structure & Dynamics|September 14, 2019
Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitorsBhavya Somalapura Gangadharappa, Rajashekarappa Sharath, Prasanna D Revanasiddappa, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2019
Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studiesShovonlal Bhowmick, Rekha Dhondiram Chorge, Chaitanya Sadashiv Jangam, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2019
Elucidating the molecular interaction of Zebrafish (Danio rerio) peptidoglycan recognition protein 2 with diaminopimelic acid and lysine type peptidoglycans using in silico approachesAjaya Kumar Rout, Sunanda Paramanik, Budheswar Dehury, et al.Journal of Biomolecular Structure & Dynamics|October 1, 1987
A-DNA accommodates adducts derived from diol epoxides of polycyclic aromatic hydrocarbons bound in a "side-stacking" modeR W Andersen, M D Whitlow, M M Teeter, et al.Pageof 930