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Journal of Biomolecular Structure & Dynamics|August 20, 2019
Design of galardine analogs as putative psudolysin inhibitors based on ab initio fragment molecular orbital calculationsTakuya Ezawa, Satoshi Sugiyama, Ayami Ara, et al.Journal of Biomolecular Structure & Dynamics|August 20, 2019
New strategy for identifying potential natural HIV-1 non-nucleoside reverse transcriptase inhibitors against drug-resistance: an in silico studyYanjing Wang, Xiangeng Wang, Yi Xiong, et al.Journal of Biomolecular Structure & Dynamics|August 13, 2019
Complexation of cis-Pt and trans-Pt(NH3)2Cl2 with serum proteins: A potential application for drug deliveryP Chanphai, J Bariyanga, G Bérubé, et al.Journal of Biomolecular Structure & Dynamics|October 8, 2019
Characterization of an engineered water-soluble variant of the full-length human mu opioid receptorJin Xi, Jie Xiao, Jose Manuel Perez-Aguilar, et al.Journal of Biomolecular Structure & Dynamics|October 8, 2019
Another step toward understanding the binding mode of other derivatives of [Ru(phen)2L] complexesMaryam Nejat Dehkordi, Per LincolnJournal of Biomolecular Structure & Dynamics|October 8, 2019
Rv0807, a putative phospholipase A2 of Mycobacterium tuberculosis; Elucidation through sequence analysis, homology modeling, molecular docking and molecular dynamics studies of potential substrates and inhibitorsShobana Sundar, Lokesh Thangamani, Gowdham Manivel, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2019
Computationally guided identification of Akt-3, a serine/threonine kinase inhibitors: Insights from homology modelling, structure-based screening, molecular dynamics and quantum mechanical calculationsShubham Srivastava, Pakhuri Mehta, Omprakash Sharma, et al.Journal of Biomolecular Structure & Dynamics|January 25, 2021
RNA dependent RNA polymerase (RdRp) as a drug target for SARS-CoV2Avinash Mishra, Anurag S RathoreJournal of Biomolecular Structure & Dynamics|January 25, 2021
Exploring potential inhibitor of SARS-CoV2 replicase from FDA approved drugs using insilico drug discovery methodsAnshuman Chandra, Vaishali Gurjar, Mohammad Z Ahmed, et al.Journal of Biomolecular Structure & Dynamics|February 1, 2021
A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctionsRana Rehan Khalid, Arooma Maryam, Süleyman Selim Çınaroğlu, et al.Pageof 930