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Protein interactions

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

Computational prediction of high-risk non-synonymous SNPs in human ApoE and their structural impact on amyloid-β interaction in Alzheimer’s disease pathogenesis

Md. Mainuddin Hossain, Juthi Adhikari, [ ... ], Abu Zaffar Shibly

Targeting the cyclin D/CDK4 Axis to unlock new therapeutic approaches to enhance cancer treatment

Ibrahim Khater, Aaya Nassar

Structural disorder and distinctive motifs in the C-terminal region of the MADS-domain transcription factors are conserved across diverse taxa

Erandi Ramírez-Aguirre, Teresa Beatriz Nava-Ramírez, Alejandra A. Covarrubias, Adriana Garay-Arroyo

Characterization of multi-targeted insulin-mimetic antidiabetic peptides using in silico approaches

Anas Bilal, Ghulam Mustafa

RPIPLM: Prediction of ncRNA-protein interaction by post-training a dual-tower pretrained biological model with supervised contrastive learning

Yiwei Liu, Ting Bao, [ ... ], Yanbin Wang

Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors

Emira Noumi, Mejdi Snoussi, [ ... ], Vincenzo De Feo

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