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Protein interactions

Mutation-resolved ABL1 inhibitor resistance prediction under mutation-disjoint and temporal cross-study validation

Mohanad A. Deif, Mohamed A. Hafez, [ ... ], Ismail A. M. Elhaty

Integrative in vitro, in vivo, and in silico investigation with mineral profiling of Combretum indicum: A multi-target therapeutic candidate exhibiting antioxidant, thrombolytic, anti-inflammatory, anti-arthritic, analgesic, cytotoxic, and anthelmintic activities

Zobayed Islam, Hridoy Chowdhury, [ ... ], S. M. Naim Uddin

A dual-functional antiviral and anticancer peptide to target intricate host-pathogen interacting proteins of human papillomavirus associated with head and neck cancer

Gayathri Ashok, Soumyadip Ghosh, [ ... ], Anand Anbarasu

Investigating the anticancer potential of phytochemicals from the mangrove Rhizophora mucronata as inhibitors of lung cancer-associated proteins: Insights from multiscale computational and in silico analyses

Zena Abdul-Ameer Mahdi, Batool Shakir Abed AlmjalawI, [ ... ], Sarah Alwan Malik Al-Yasiri

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

Muhammad Awais, Noor Rahman, [ ... ], Humaira Zafar

Heterotrimeric G proteins containing Gβ₁γ₂ subunits exhibit subtype-specific mobility differences in live cells

Ondřej Kuchynka, Andrei Kovalchuk, [ ... ], Alexey Bondar

Network of interactions between the tumor necrosis factor superfamily members and small S100 proteins

Victoria A. Rastrygina, Evgenia I. Deryusheva, [ ... ], Sergei E. Permyakov

RA-PLA: Retrieval-augmented graph convolutional networks for protein-ligand binding affinity prediction

Karim Abbasi, Hossein Banadkuki, Reza Sepahvand, Shima Rashidi

Leveraging bioinformatics approaches for drug repositioning in space radiation protection

Thomas E. Diaz, Joseph A. Kerrigan Jr, Dawn E. Bowles, Yared H. Kidane

The G-patch protein Cwf28 interacts with the RNA helicase Cdc28 in catalytically active spliceosomes in Schizosaccharomyces pombe

Laura Olivia Karika, Ingrid Cipakova, [ ... ], Lubos Cipak

Acute Myeloid Leukemia(AML) proteins for in silico drug design using pharmacophore modeling, molecular docking and molecular dynamics simulation

Partho Bosu, Tonmoy Adhikary, [ ... ], Payer Ahmed

Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein

Nouh Mounadi, Hassan Nour, [ ... ], Samir Chtita

Phycocyanobilin: A potential bioactive compound from Arthrospira platensis targeting LYN protein associated with systemic lupus erythematosus

Amnart Chaiprasert, Ping Han, Teeraphan Laomettachit, Marasri Ruengjitchatchawalya

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