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Macromolecular structure analysis

Identification of neuronatin as a SERCA2b regulin-like protein and assessment of its aggregation propensity via coarse grained simulations

Omar Ben Mariem, Lara Coppi, [ ... ], Maurizio Crestani

Text encryption through bio-inspired DNA and RNA sequencing

Omar Fitian Rashid, Safa Ahmed Abdulsahib, Humam Al-Shahwani

Synthesis of substituted biphenyls and in vitro evaluation of antimicrobial and anti-biofilm activities supported by in silico ADMET prediction

Saad Alghamdi, Ahmed Hassen Shntaif, Yasser Hussein Issa Mohammed

Benchmarking free energy calculations: Analysis of single and double mutations across two simulation software platforms for two protein systems

Shivani Gupta, Qinfang Sun, Ronald M. Levy

Computational prediction of binding affinity and structural impact of three Pakistani SARS-CoV-2 spike RBD variants on human ACE2 interaction

Muhammad Usama, Muhammad Azeem, Ghulam Mustafa

Identification of autophagy-related key biomarkers in caerulein induced acute pancreatitis: In silico and in vivo study

Xinzhuang Shen, Jie Yao, [ ... ], Yongming Huang

Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance

Farid Ataya, Abir Alamro, Amani Alghamdi, Dalia Fouad

Lipidomic analysis of bile from patients with extrahepatic cholangiocarcinoma

Seong Ji Choi, Hyo Jung Kim, [ ... ], Jae Seon Kim

ITS2 and 18S rRNA gene sequence-structure phylogeny of the Haptophyta (Haptista)

Louisa Ridder, Bente Edvardsen, Matthias Wolf

Computational modelling of the equine arteritis virus GP5/M Dimer: Implications for immune evasion and virulence

Michael Veit, Anna Karolina Matczuk

In silico design of novel recombinant antigens containing immunologically relevant regions of wild-type and escape mutant variants of HBsAg

Yeshwas Abite Workneh, Desye Melese Sisay, [ ... ], Tesfaye Sisay Tessema

Selective culinary uses of plant foods by Northern and Eastern European hunter-gatherer-fishers

Lara González Carretero, Alexandre Lucquin, [ ... ], Oliver E. Craig

Comparative analysis of the diversity within the B. bronchiseptica fimX locus

Tracy L. Nicholson, Sarah M. Shore

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