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Protein interactions

In silico analysis of quorum sensing modulators: Insights into molecular docking and dynamics and potential therapeutic applications

Ali Alisaac

Identifying dynamic regulation with machine learning using adversarial surrogates

Ron Teichner, Naama Brenner, Ron Meir

KIFC1 inhibition: Exploring the potential of propolis-derived small molecules for targeting cancer progression through in silico analysis

Muhammad Bilal Azmi, Simran Kumari, [ ... ], Shamim Akhtar Qureshi

Polypyrimidine tract binding proteins PTBP1 and PTBP2 associate with distinct proteins and have distinct post-translational modifications in neuronal nuclear extract

Michael E. Sullivan, Jacob A. Edberg, [ ... ], Niroshika M. Keppetipola

Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)

Ubair Aziz, Ishrat Jabeen

Construction of a proximity labeling vector to identify protein-protein interactions in human stem cells

Rubens Gomes-Junior, Claudia Maria do Nascimento Moreira, Bruno Dallagiovanna

Prediction of drug-target interactions based on substructure subsequences and cross-public attention mechanism

Haikuo Shi, Jing Hu, [ ... ], Xin Xu

Essential oil-derived compounds target core fatigue-related genes: A network pharmacology and molecular Docking approach

Gyaltsen Dakpa, Yu-Ting Chiang, [ ... ], Sheng-Yang Wang

Investigation of the inhibitory potential of secondary metabolites isolated from Fernandoa adenophylla against Beta-glucuronidase via molecular docking and molecular dynamics simulation studies

Abdur Rauf, Rahaf Ajaj, [ ... ], Dorota Formanowicz

Genetic variations and recurrence in stage III Korean colorectal cancer: Insights from tumor-only mutation analysis

Hajin Jeon, Jong Lyul Lee, [ ... ], Jin Ok Yang

2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase

Meriem Khedraoui, El Mehdi Karim, [ ... ], Samir Chtita

Integrating in vitro and in silico approaches for exploring antidiabetic potential of dimethyl and thiomethyl indolinone derivatives

Kashif Ali, Ahmed A. Elhenawy, [ ... ], Rahul G. Ingle

In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis

Muhammad Bilal Azmi, Han Yu, [ ... ], Mohnad Abdalla

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