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Macromolecular structure analysis

Distinct modes of interaction within eIF4F-like complexes and susceptibility to the RocA inhibitor for the Trypanosoma brucei EIF4AI translation initiation factor

Danielle M. N. Moura, Amanda L. Soares, [ ... ], Osvaldo P. de Melo Neto

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development

Muhammad Naseem Khan, Umar Farooq, [ ... ], Sara Khan

Two different and robustly modeled DNA binding modes of Competence Protein ComP - systematic modeling with AlphaFold 3, RoseTTAFold2NA, Chai-1 and re-docking in HADDOCK

Stian Aleksander Helsem, Kristian Alfsnes, [ ... ], Ole Herman Ambur

Protective function of the voltage-gated potassium channel Kv11.3 in a mouse model of cardiac ischemia/reperfusion injury

Hayato Sasaki, Kazuki Otake, [ ... ], Nobuya Sasaki

Finding patterns in lung cancer protein sequences for drug repurposing

Belén Otero-Carrasco, Paloma Tejera Nevado, [ ... ], Alejandro Rodríguez-González

The impact of mutations on TP53 protein and MicroRNA expression in HNSCC: Novel insights for diagnostic and therapeutic strategies

Ashraf Attia Mahmoud, Mohd Firdaus Raih, [ ... ], Sofia B. Mohamed

A synonymous KCNH2 polymorphism and methadone trough level influence QTc prolongation in Kelantanese Malay recipients of methadone maintenance therapy (MMT) in Malaysia

Muhammad Irfan Abdul Jalal, Muhammad-Redha Abdullah-Zawawi, [ ... ], Nasir Mohamad

Inhibition of xpt Guanine Riboswitch by a synthetic nucleoside analog

Swapan S. Jain, Emily C. McLaughlin, [ ... ], Korrapati Narasimhulu

Investigating the quaternary structure of a homomultimeric catechol 1,2-dioxygenase: An integrative structural biology study

Arisbeth Guadalupe Almeida-Juarez, Shirish Chodankar, [ ... ], Enrique Rudiño-Piñera

Mechanistic insights into Alpha-Synuclein binding to P2RX7: A molecular dynamic and docking study

Mukesh Kumar, Kanchan Singh, [ ... ], Mohini Saini

A divide-and-conquer approach based on deep learning for long RNA secondary structure prediction: Focus on pseudoknots identification

Loïc Omnes, Eric Angel, [ ... ], Fariza Tahi

Molecular activity of bioactive phytocompounds for inhibiting host cell attachment and membrane fusion interacting with West Nile Virus envelope glycoprotein

Noimul Hasan Siddiquee, Shanjida Akter Joyoti, [ ... ], Mohammad Sharif Uddin

Identification of potential riboswitch elements in Homo sapiens mRNA 5’UTR sequences using positive-unlabeled machine learning

William S Raymond, Jacob DeRoo, Brian Munsky

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