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Macromolecular structure analysis

Systematic analysis of the relationship between fold-dependent flexibility and artificial intelligence protein structure prediction

Neshatul Haque, Jessica B. Wagenknecht, Brian D. Ratnasinghe, Michael T. Zimmermann

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

Carotenoid composition and sequestration in cassava (Manihot esculentum Crantz) roots

Margit Drapal, Tatiana M. Ovalle Rivera, Luis Augusto Becerra Lopez-Lavalle, Paul D. Fraser

Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase

Kaleem Arshad, Jahanzab Salim, [ ... ], Nazia Kanwal

Computational analysis of the deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in TYR gene impacting human tyrosinase protein and the protein stability

Wei Fan, Heng Li Ji, [ ... ], Yasmeen Shakir

Systemic analysis shows that cold exposure modulates triglyceride accumulation and phospholipid distribution in mice

Isabella James, Raghav Jain, [ ... ], Samuel Furse

Direct activation of HSF1 by macromolecular crowding and misfolded proteins

Oliver Simoncik, Vlastimil Tichy, [ ... ], Petr Muller

Ononin delays the development of osteoarthritis by down-regulating MAPK and NF-κB pathways in rat models

Fang Xu, Zhaocong Li, [ ... ], Qingjun Wei

A physically inspired approach to coarse-graining transcriptomes reveals the dynamics of aging

Tao Li, Madhav Mani

Identification of interaction partners of outer inflammatory protein A: Computational and experimental insights into how Helicobacter pylori infects host cells

Sümeyye Akcelik-Deveci, Elif Kılıç, [ ... ], Sinem Oktem-Okullu

Design and antiviral assessment of a panel of fusion proteins targeting human papillomavirus type 16

Chongzhi Bai, Ruoyu Wang, [ ... ], Pengcheng Han

The oral pathogen Porphyromonas gingivalis gains tolerance to the antimicrobial peptide DGL13K by synonymous mutations in hagA

Sven-Ulrik Gorr, Ruoqiong Chen, Juan E. Abrahante, Paul B. M. Joyce

Engineered red Opto-mGluR6 Opsins, a red-shifted optogenetic excitation tool, an in vitro study

Hoda Shamsnajafabadi, Zahra-Soheila Soheili, [ ... ], Ali Kashanian

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