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Journal of Biomolecular Structure & Dynamics|June 10, 2023
In silico studies of the interaction of the minor groove binder Hoechst 33258 with B-DNAUpasana Issar, Richa Arora, Rita KakkarJournal of Biomolecular Structure & Dynamics|February 2, 2019
Structural basis of fullerene derivatives as novel potent inhibitors of protein acetylcholinesterase without catalytic active site interaction: insight into the inhibitory mechanism through molecular modeling studiesYongfeng Wan, Shanshan Guan, Mengdan Qian, et al.Journal of Biomolecular Structure & Dynamics|January 5, 2019
Cross-talk between allosteric and orthosteric binding sites of γ-amino butyric acid type A receptors (GABAA-Rs): A computational study revealing the structural basis of selectivityPavan V Payghan, Sudipendra Nath Roy, Dhananjay Bhattacharyya, et al.Journal of Biomolecular Structure & Dynamics|March 13, 2018
Molecular insights into substrate binding mechanism of undecaprenyl pyrophosphate with membrane integrated phosphatidyl glycerophosphate phosphatase B (PgpB) using molecular dynamics simulation approachManish Kesherwani, Devadasan VelmuruganJournal of Biomolecular Structure & Dynamics|September 23, 2020
Designing of RNA aptamer against DNA binding domain of the glucocorticoid receptor: A response element-based in-silico approachThirukumaran Kandasamy, Babu Sudhamalla, Debdut NaskarJournal of Biomolecular Structure & Dynamics|September 28, 2020
Computational evaluation of modified peptides from human neutrophil peptide 1 (HNP-1)Neda Moazzezy, Elham Rismani, Maryam Rezaei, et al.Journal of Biomolecular Structure & Dynamics|September 29, 2020
In silico improvement of the cyanobacterial lectin microvirin and mannose interactionAdonis de Melo Lima, Andrei Santos Siqueira, Marina Luiza Saraiva Möller, et al.Journal of Biomolecular Structure & Dynamics|September 8, 2020
Design of a multi-epitope peptide vaccine candidate against chandipura virus: an immuno-informatics studyDaya V Pavitrakar, Nitin M Atre, Anuradha S Tripathy, et al.Journal of Biomolecular Structure & Dynamics|September 8, 2020
Adsorption of Polyadenylic acid on graphene oxide: experiments and computer modelingMaksym V Karachevtsev, Stepan G Stepanian, Vladimir A Valeev, et al.Pageof 931