Journal of biomolecular structure & dynamics

01 14 October 2026

DOI 10.1080/07391102.2026.2741934

Structure–dynamics analysis of insulin receptor modulation by plant-derived ligands suggests a potential regulatory role for Asn711

Open DOI

Mahnaz Shojapour, Somayeh Farahmand, Robabeh Hajihosseinloo

02 12 October 2026

DOI 10.1080/07391102.2026.2743847

Coarse grained molecular dynamics analysis of menthol interactions with ergosterol in a fungal mimetic membrane

Open DOI

Alaa Aldabet

03 12 October 2026

DOI 10.1080/07391102.2026.2743170

Computational analysis of pathogenic nsSNPs in the human TNF gene and their role in neuroinflammation in Adrenoleukodystrophy

Open DOI

Sarita Maurya, Chakresh Kumar Jain

04 7 October 2026

DOI 10.1080/07391102.2026.2741936

Structure–function studies of four disulfide-containing insulins from Conus textile and Conus memiae and a snail-guided human insulin analogue

Open DOI

Shweta Dhannura, Kashibai Patil, Krishnappa Radhakrishna et al.

Cone snail insulins are broadly classified into two distinct classes: venom insulins, which aid in prey capture, and signalling insulins, which regulate metabolism (Ahorukomeye et al., 2019; Lauges...

05 7 October 2026

DOI 10.1080/07391102.2026.2741932

Unravelling the synergy of curcumin and quercetin in the adipogenesis pathway: highlighting molecular dynamics and epigenetic reversibility

Open DOI

Sunandini Ghosh, Indraneel Rakshit, Pritha Bhattacharjee

06 6 October 2026

DOI 10.1080/07391102.2026.2741688

Integrating deep learning model for precision design of MERS antibodies with augmented affinity against SARS-CoV-2

Open DOI

Areesha Irshad, Atta Ur-Rehman, Taskeen Koser et al.

07 6 October 2026

DOI 10.1080/07391102.2026.2735399

Significance of BCR-ABL P-loop point mutations (L248R/V) on binding to FDA approved drugs: molecular dynamics simulations and DFT studies

Open DOI

Y. Indra Neela, Lalitha Guruprasad

08 4 October 2026

DOI 10.1080/07391102.2026.2741122

DeepRAGIL-2: a retrieval-augmented protein language model framework for sensitive and accurate prediction of IL-2-inducing peptides

Open DOI

Juan Peter Timothy Yuune, Van The Le, Yu-Yen Ou

1. Interleukin-2 (IL-2) is a pleiotropic cytokine central to T-cell activation, proliferation, and immune tolerance. It signals through the IL-2Rαβγ trimeric complex, activating downstream JAK-STAT...

09 3 October 2026

DOI 10.1080/07391102.2026.2741933

Structure-based identification of a membrane-retained OmpA candidate against Acinetobacter baumannii by membrane molecular dynamics and phenotypic antibacterial assessment

Open DOI

Vuyyuru Kesavi HimaBindhu, Abraham Peele Karlapudi, Chinmai Rayidi

1. Acinetobacter baumannii is a leading cause of difficult-to-treat hospital infection. The World Health Organization places it in the critical priority category (World Health Organization [WHO], 2...

10 30 September 2026

DOI 10.1080/07391102.2026.2729840

Computational and biophysical validation of tobramycin targeting Mycobacterium MetE(Rv1133c): implications for anti-tuberculosis activity & rifampicin synergy

Open DOI

Kunal Malik, Kashish Choudhary, Waseem Ali et al.

1. Tuberculosis (TB), caused by the gram-positive bacillus Mycobacterium tuberculosis (M.tb), is a leading cause of mortality worldwide with 10.7 million active cases in 2024 alone with 1.23 millio...