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Drug screening

From in silico prediction to experimental validation: Identification of drugs and novel synergistic combinations that inhibit growth of inflammatory breast cancer cells

Esraa A. Salim, Xiaojia Ji, [ ... ], Kevin P. Williams

2-methoxyestradiol is effective in 2D and 3D models of NCI-H2170 lung squamous cell carcinoma cells

Paul Mellor, Stephanie Kendall, Deborah H. Anderson

Binding Affinity Ranking at the Molecular Initiating Event (BARMIE): An open-source computational pipeline for the rapid screening of chemical interactions with steroid receptors from many species

Fernando Calahorro, Parsa Fouladi, [ ... ], Nic R. Bury

Identifying potential inhibitors for wild-type EGFR tyrosine kinase through a cross-talk pathway strategy and an in-silico drug repurposing method

Dorra Abdelmalek, Kawther Bedchich, [ ... ], Mohamed Sami Aifa

Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor

Ali Sultan Khazaal Nazal, Amjed Majid Rashid Alrashedi, Lamia Abdultef Risan Al-Iessa, Mustafa Abdulkadhim Hussein Ali Rabeea

Assessing the association between musculoskeletal injury and mental health in rugby players—A cross-sectional study

Mordicai Atinga, Jasmit Shah, [ ... ], Njalalle Baraza

State impulsivity and substance use: A systematic review and meta-analysis protocol

Ashmita Mazumder, Suzanne Erb, Marc A. Fournier

Patient-derived organoids predict chemotherapy response of locally advanced gastric cancer

Miao Huang, Jiahui Chu, [ ... ], Lian Liu

MLGT: A multimodal graph attention network for virtual screening of anti—Uveitis drugs

Yu Sun, Yihang Qin, Wenhao Chen

Protective effect of cannabinoid type II receptor ligand on bleomycin-induced pulmonary fibrosis in mice

Cheng Cao, Run-Lin Wang, [ ... ], Yan Chen

High-throughput screening of drug libraries identifies a new synergistic drug combination for the treatment of retinoblastoma

Po-Jen Tseng, Irina L. Sinenko, [ ... ], Paul J. Dyson

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape

Qu Wang, Yu Hao Xu, [ ... ], Zhu Liang

A live cell biosensor protocol for high-resolution screening of therapy-resistant cancer cells

Viral D. Oza, Colin S. Williams, Jessica S. Blackburn

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