Green Journals

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Physically coupled centre-environment descriptor for CO adsorption on Pt-centred PtRu(111) local environments

Xiaohui Huang, Hong Zhang

2026-10-28 Pages 1-15

DOI: 10.1080/08927022.2026.2748056

Targeting the <i>Helicobacter pylori</i> ClpX chaperone with 7,4′-Dihydroxy-8-methylflavone: a virtual screening and microsecond-scale triplicate molecular dynamics study

Tamizh Selvan Gnanasekaran, Manish Kumar, Thejaswi Bhat et al.

2026-10-22 Pages 1-31

DOI: 10.1080/08927022.2026.2748051

Interpretable machine-learning mapping of fixed-window tensile strength and energy absorption in multi-nanovoid copper from molecular dynamics simulations

Chen-Huan Lin, Chia-Ming Chang

2026-10-22 Pages 1-16

DOI: 10.1080/08927022.2026.2751130

Molecular dynamics study on structural evolution and interfacial interactions of Ca <sup>2+</sup> -crosslinked alginate-silica composite gels for polishing applications

Zhongwen Yang, Zhelun Ma, Tianbiao Yu et al.

2026-10-17 Pages 1-19

DOI: 10.1080/08927022.2026.2748055

Comparative virtual screening of African natural products against sickle haemoglobin: the β-chain hydrophobic acceptor pocket outperforms the Valβ6 surface for lateral-contact inhibition

Jean Yves Takoua Bella, Auguste Abouem À Zintchem

2026-10-9 Vol. 52 Issue 16 Pages 1593-1607

DOI: 10.1080/08927022.2026.2743768

Conformational dynamics and energetic landscape of the SARS-CoV-2 nsp12 with and without accessory proteins: new insights on this potential therapeutic target against COVID-19

Tácio Vinício Amorim Fernandes, Frederico Silva Castelo-Branco, Vinícius Santos De Pontes et al.

2026-10-6 Vol. 52 Issue 16 Pages 1558-1575

DOI: 10.1080/08927022.2026.2739913

Targeting IL-1beta signalling in cervical cancer with zerumbone: evidence from experimental and computational studies

Salam Pradeep Singh, Khumukcham Nongalleima, Chingakham Brajakishor Singh

2026-10-5 Vol. 52 Issue 16 Pages 1576-1592

DOI: 10.1080/08927022.2026.2741228

Transport of a polymer chain in constriction–expansion microchannels: a dissipative particle dynamics study

Yanwei Fang, Lanlan Xiao, Kaixuan Zhang

2026-9-30 Vol. 52 Issue 16 Pages 1541-1557

DOI: 10.1080/08927022.2026.2739911

Tribological behaviour of CuCoCrFeNi high-entropy alloy at various nanoscratching conditions based on molecular dynamics

Zhihao Tang, Wang Deng, Yalan Xiao et al.

2026-9-27 Vol. 52 Issue 16 Pages 1523-1540

DOI: 10.1080/08927022.2026.2735263

Unravelling an ultrafast and reversible excited-state proton transfer in quinophthalone: a theoretical study

Lingling Yuan, Zhanke Gao, Chaoying Shi

2026-9-23 Vol. 52 Issue 16 Pages 1515-1522

DOI: 10.1080/08927022.2026.2666729

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