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Protein interactions

Evaluating the pentapharmacological potency of otamixaban against lung cancer CDK2, transferase, oxidoreductase and signalling proteins

Hanadi M. Baeissa, Tahani Bakhsh, [ ... ], Deeba Shamim Jairajpuri

Targeting vascular dementia: Molecular docking and dynamics of natural ligands against neuroprotective proteins

Zhizhong Wang, Sen Xu, [ ... ], Ling Liu

Exploring β-catenin and TCF4 interaction in complex environments by means of novel biosensing platform focal molography

Philipp Cedro, Roman Popov, [ ... ], Sylwia Huber

A graph neural network-based approach for predicting SARS-CoV-2–human protein interactions from multiview data

Sumanta Ray, Syed Alberuni, Alexander Schönhuth

Identification and 3D modeling of bioactive peptides from Lactobacillus brevis RAMULAB49 protein hydrolysate with in silico ERK1 phosphorylation inhibition activity targeting diabetic nephropathy

Reshma Mary Martiz, Ramith Ramu, [ ... ], Xijun Tang

Structural stability-guided scaffold hopping and computational modeling of tankyrase inhibitors targeting colorectal cancer

Mohammed Merae Alshahrani

Exploring Dolichos lablab compounds as potential inhibitors for fusion (F) protein of human metapneumovirus (HMPV): A systematic computational approach

Md. Mainuddin Hossain, Md. Jahid Hasan Apu, [ ... ], Md. Mahbub Morshed

AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis

Ram Lal (Swagat) Shrestha, Ashika Tamang, [ ... ], Jhashanath Adhikari Subin

KG-MACNF: A nonlinear cross-modal fusion model for predicting drug-target interactions via multi-relational embedding and fine-grained structure

Yihan Feng, Xixin Yang, [ ... ], Qi Cheng

Identification of silibinin and isotretinoin as potent up-regulators of sFRP4 (Wnt antagonist): In silico prediction and in vitro validation in breast cancer

Rehana Ramzan, Shazia Anwer Bukhari, Azhar Rasul

ProteinWeaver: A webtool to visualize ontology-annotated protein networks

Oliver Anderson, Altaf Barelvi, [ ... ], Anna Ritz

Leveraging dynamic stability to infer regulation in protein-protein interaction networks: A study of infectious vulnerability in COPD

Joyce Reimer, Jeffrey Page, [ ... ], Gordon Broderick

Cheminformatics-based screening and evaluation of phytochemicals as CDK2 inhibitors in colorectal cancer therapy

Nowshin Tabassum, Md. Ekram Hossan, [ ... ], Noimul Hasan Siddiquee

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