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Binding analysis

High-throughput thermodynamic fingerprinting of protein–ligand interactions by DNA-directed focal molography

John Oehninger, Simona Notova, Andreas Frutiger

published 22 Oct 2026

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Evaluation of pre-Omicron population immunity for SARS-CoV-2 in the Household Influenza Vaccine Evaluation (HIVE) cohort

Yangyupei Yang, Casey Juntila-Raymond, Amy Callear, Matthew Smith, Reilly K. Atkinson, Yan Zhao, Ruhi Shah, Jefferson J. S. Santos, Scott E. Hensley, Arnold S. Monto, Emily T. Martin

published 15 Oct 2026

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Identification of new fucosyltransferase-8 inhibitors: An integrated biochemical, biophysical, and computational approach

Muhammad Awais, Noor Rahman, Sumaira Javaid, Atia-tul- Wahab, Thirugnanasambandam Rajendran, M. Iqbal Choudhary, Humaira Zafar

published 05 Oct 2026

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A lethal ORC ATPase mutation is suppressed by alterations in ORC and RNA Pol II transcription components

Luis E. Martínez-Rodríguez, Stephen P. Bell

published 30 Sep 2026

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All-atom molecular dynamics simulation of Cyclophilin A in complex with Sanglifehrin A

Zahra Aliabadi, Alireza Mohebbi

published 22 Sep 2026

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Identification of Galectin-9 (Gal-9) as a B7-H4 binding partner and characterization of their glycosylation-dependent interaction that modulates T cell signaling within a multi-ligand/receptor network

Ravear Zhiqiang Wang, Fang Yang, Jianhua Sui

published 18 Sep 2026

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Mechanistic inhibition of herpes simplex virus-1 UL21 immune-evasion function by natural-product scaffolds: A multi-tier docking, dynamics, and energetic profiling approach

Muhammad Suleman, Imtiaz Ali, Abrar Mohammad Sayaf, Fakhrul Hassan, Usama Ilahi, Mohammed Alissa, Sergio Crovella, Abdullah A. Shaito, Hadi M. Yassine

published 16 Sep 2026

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Orchestration of kaempferol nuclear translocation by phase ii metabolic enzymes and efflux transporters suppresses colorectal cancer

Chishun Zhou, Qing Ning, Xin Jin, Yu Li, Yuefang Lin, Jiarun Lin, Jing Zheng, Yukai Huang, Wei Wang, Zhongqiu Liu, Linlin Lu

published 15 Sep 2026

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A bioinformatic single-cell and structure-informed framework identifies a baicalin–CA2–keratinocyte state axis in atopic dermatitis

Boyan Yang, Guilin Zhou, Jun Dai

published 11 Sep 2026

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Identification of novel peripherally restricted risperidone-like dopamine D2 receptor antagonists for prolactin-mediated neuroprotection through a multi-stage in silico screening

Shinhyun Kim, Won Hee Jo, Jae Ok Cha, Min-Sun Kim

published 28 Aug 2026

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An efficient ranking deep neural network algorithm for the prediction of Ca²⁺ binding sites of the protein

Pritee Parwekar, Samudrala Gourinath, Jaishree Jain, Shilpa Gundagatti, Jabir Ali, Punit Gupta, Asmir Butkovic

published 13 Aug 2026

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From structural insight to molecule: Integrative molecular simulations identify candidate pyruvate kinase activators

Doni Dermawan, Nasser Alotaiq

published 12 Aug 2026

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Long noncoding RNA Gpr137b-ps mediates 15-PGDH-induced angiogenesis in brain microvasculature following tMCAO in mice

Di Wang, Guojian Zhang, Haiyan Gou, Yawei Wang, Wenye Liang, Yangyue Cao, Yujuan Jiao

published 24 Jul 2026

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