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Journal of Biomolecular Structure & Dynamics|February 6, 2024
The potential of some functional group compounds substituted 8-Manzamine A as RSK1 inhibitors: molecular docking and molecular dynamics simulationsAla' Omar Hasan Zayed, Mousa Altarabeen, Ehab AlShamaileh, et al.
Journal of Biomolecular Structure & Dynamics|February 6, 2024
In-vitro antimicrobial activity of AF-DP protein and in-silico approach of cell membrane disruptionFatemeh Velayatipour, Hossein Tarrahimofrad, Javad Zamani, et al.
Journal of Biomolecular Structure & Dynamics|February 6, 2024
Identification of selective plant-derived natural carotenoid and flavonoids as the potential inhibitors of DHHC-mediated protein S-palmitoylation: an in silico studySuchi Chaturvedi, Nirali Pandya, Sushabhan Sadhukhan, et al.
Journal of Biomolecular Structure & Dynamics|January 29, 2024
A close-up shot of protein-protein docking, from experiment to theory and reverse with the PROTAC performersKhanh Quynh Thi Nguyen, Hieu Hien Nguyen, Huong Thi Thu Phung, et al.
Journal of Biomolecular Structure & Dynamics|January 29, 2024
Virtual screening and molecular dynamics investigations using natural compounds against autotaxin for the treatment of chronic painAkhilesh, Arjun Menon, Somesh Agrawal, et al.
Journal of Biomolecular Structure & Dynamics|January 27, 2024
Computational investigation of impact of Pb(II) and Ni(II) ions on hUNG enzyme: insights from molecular dynamics simulationsPriyani R Paligaspe, Samantha Weerasinghe, Dhammike P Dissanayake, et al.
Journal of Biomolecular Structure & Dynamics|January 30, 2024
Inhibitory mechanism of chrysin and diosmetin to α-glucosidase: insights from kinetics, multispectroscopy and molecular docking investigationsYuqing Zhang, Yaping Li, Yuhan Zhai, et al.
Journal of Biomolecular Structure & Dynamics|January 30, 2024
Association between GSTP1 I105V polymorphisms and responses to GSTP1 inhibitor treatment: in silico and in vitro insightsHao Jiao, Aoqi Song, Long Cheng, et al.
Journal of Biomolecular Structure & Dynamics|April 25, 2024
In silico study of androgen receptor N-terminal domain and exploration of its modulatorsWeidong Zhang, Hongyu Hu, Yalan Zhu, et al.
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