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Protein interactions

Large-scale multi-omic biosequence transformers for modeling protein–nucleic acid interactions

Sully F. Chen, Robert J. Steele, [ ... ], Eric K. Oermann

In-silico characterization of deleterious non-synonymous SNPs in the human S1PR1 gene reveals structural instability and altered ligand affinity

Sangram Biswas, Dipankar Sardar, [ ... ], M. Nazmul Hoque

Exploration of a workflow for the classification and identification of co-purified protein complexes yields new structures and multiple MSP assembly states

Qingyang Zhang, Abhinandan Venkatesha Murthy, Carsten Mim

GC-MS based bioactive profiling of Phyllanthus niruri and its antibacterial potential through experimental and computational studies

Zubair Khalid Labu, Samira Karim, [ ... ], Sarder Arifuzzaman

Integrative multi-omics analyses identify key genes and elucidate bidirectional regulatory mechanisms in thyroid dysfunction

Yilang Hu, Hong Hu, [ ... ], Qingqing Wang

Bioactivity of Cyperus amuricus extracts against hepatocellular carcinoma and molecular docking analysis targeting the PI3K/AKT/mTOR pathway

Thanh Luan Nguyen, Thanh Khoi Tu, [ ... ], Hai Ha Pham Thi

Targeting epigenetic regulators: In-silico discovery of natural inhibitors against histone demethylase KDM4C

Mukesh Kumar, Anusha P, [ ... ], Prakash K. Shukla

Structural engineering, BSA binding and computational analysis of isonipacotate based enzyme inhibitors containing 1,2,4-triazole

Naeem A. Virk, Aziz-ur-Rehman, [ ... ], Abida Khan

Computational identification of epifriedelanol and derived analogs from Mikania cordata as potential HMG-CoA reductase inhibitors

Miruna Banu, Sheikh Sunzid Ahmed, Momtaz Begum, M. Oliur Rahman

Discovery of F-18 labeled repurposed CNS drugs by computational strategy for effective tau imaging and alzheimer’s diagnosis

Pan Tang, Xuehua Chen, [ ... ], Chong Cheng

Enhancing drug repositioning: A multi-class ensemble model for drug-target interaction prediction with action type categorization

Leila Jafari Khouzani, Soroush Sardari, [ ... ], Fahimeh Ghasemi

Evaluation of dihydropyranocoumarins as potent inhibitors against triple-negative breast cancer: An integrated of in silico, quantum & molecular modeling approaches

Abu Yousuf Hossin, Md Naziur Rahman, [ ... ], Ajoy Kumer

Assessing the chemical profile and biological potentials of Tamarix smyrnensis flower extracts using different solvents by in vitro, in silico, and network methodologies

Erdi Can Aytar, Emine Incilay Torunoğlu, [ ... ], Mika Sillanpää

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