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Protein structure databases

Novel benzofuran/pterostilbene hybrids trigger programmed cell death and impair migration in CRC cells

Angie Herrera-Ramírez, Rubén Becerra-Quintana, Andrés F. Yepes, Wilson Cardona-Galeano

Identification of autophagy-related key biomarkers in caerulein induced acute pancreatitis: In silico and in vivo study

Xinzhuang Shen, Jie Yao, [ ... ], Yongming Huang

Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance

Farid Ataya, Abir Alamro, Amani Alghamdi, Dalia Fouad

Exploring the toxicological mechanisms of Benzo[a]anthracene (BaA) exposure in lung adenocarcinoma (LUAD) via network toxicology, machine learning, and multi-dimensional bioinformatics analysis

Zhiyao Shi, Zhiyong Fang, [ ... ], Xixing Wang

Potential mechanisms and effects of AFB₁-induced asthma: A comprehensive analysis based on network toxicology and molecular docking

Zhiyue Yu, Ming Gao, [ ... ], Limei Geng

Optimizing the preparation of labeled N-glycans for rapid, simplified, and high-precision analysis

Riko Makino, Shunji Natsuka

Delineating SARS-CoV-2 spike protein and antibodies interaction interfaces via siamese neural networks: A geometric and image-based analysis

Gemma Loreti, Paola Vottero, [ ... ], Maral Aminpour

Integrative GWAS and RNA-Seq analysis for target identification and virtual drug screening in colorectal cancer

Qinghui Liu, Yiyang Lei, Zixuan Liu, Jiale Han

Using systems biology and drug repositioning approaches to discover FDA-approved drugs candidates for endometriosis treatment

Samira Sanami, Shahrzad Aghaamoo, [ ... ], Mojgan Rahmanian

Integrative network toxicology and molecular docking reveal 4-Nonylphenol’s multifaceted mechanisms in breast cancer pathogenesis

Congli Jia, Fu Yang

Common molecular links and therapeutic insights between type 2 diabetes and kidney cancer

Reaz Ahmmed, Mohammad Amirul Islam, [ ... ], Md. Nurul Haque Mollah

ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories

Krzysztof Mularski, Dawid Makalowski, [ ... ], Aleksandra Swiercz

Coarse-grained molecular dynamics investigation on the interaction between κ- and β-casein aggregates and curcumin

Jian Gao, Rong Dong, [ ... ], Ye-Wang Zhang

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