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Protein structure

Featuring the application of biochemistry in dental practice through a self-directed assignment: A descriptive study

Nazlee Sharmin, Ava K. Chow

published 10 Apr 2026

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Phytochemicals from Astragalus zederbaueri as Acetylcholinesterase Inhibitors for Alzheimer’s Therapy

Saman Asghar, Muhammad Umer Khan, Talha Jawaid, Raima Rehman, Abeeha Shafi, Abdullah R. Alzahrani, Zia Ur Rehman, Abida Khan

published 10 Apr 2026

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Network pharmacology and integrative bioinformatics analyses identify PDE1A as a key target of pirfenidone in idiopathic pulmonary fibrosis

Jing Wu, Haseeb Khaliq, Yanyan Ke, Qudrat Ullah, Sheikh Arslan Sehgal, Xue Yi

published 10 Apr 2026

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A common network of residue-residue contacts underlies interactions between peptides and HLA class II complex

Alexander E. Kister, Dmitry R. Leshchiner, Ilya Kister

published 10 Apr 2026

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

Omar Ben Mariem, Lara Coppi, Emma De Fabiani, Ivano Eberini, Maurizio Crestani

published 09 Apr 2026

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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

published 06 Apr 2026

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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

published 03 Apr 2026

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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

published 01 Apr 2026

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

Xinzhuang Shen, Jie Yao, Zongke Wang, Renhua Chen, Laian Li, Xiangjun Xu, Yongming Huang

published 27 Mar 2026

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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

published 23 Mar 2026

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

Michael Veit, Anna Karolina Matczuk

published 10 Mar 2026

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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, Abebaw Fekadu, Abraham Tesfaye Bika, Alemu Tekewe Mogus, Tesfaye Sisay Tessema

published 09 Mar 2026

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

Tracy L. Nicholson, Sarah M. Shore

published 02 Mar 2026

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