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Protein structure databases

Predicting aptamer sequences that interact with target proteins using an aptamer-protein interaction classifier and a Monte Carlo tree search approach

Gwangho Lee, Gun Hyuk Jang, Ho Young Kang, Giltae Song

Molecular dynamics analysis of N-acetyl-D-glucosamine against specific SARS-CoV-2’s pathogenicity factors

Ömür Baysal, Naeem Abdul Ghafoor, [ ... ], Volha Kniazeva

MCPdb: The bacterial microcompartment database

Jessica M. Ochoa, Kaylie Bair, [ ... ], Todd O. Yeates

Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba

Logan Tillery, Kayleigh Barrett, [ ... ], Wesley C. Van Voorhis

A chemical interpretation of protein electron density maps in the worldwide protein data bank

Sen Yao, Hunter N. B. Moseley

A simple strategy to enhance the speed of protein secondary structure prediction without sacrificing accuracy

Sheng-Hung Juan, Teng-Ruei Chen, Wei-Cheng Lo

Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor

Melissa F. Adasme, Daniele Parisi, [ ... ], Michael Schroeder

Multifaceted analysis of training and testing convolutional neural networks for protein secondary structure prediction

Maxim Shapovalov, Roland L. Dunbrack Jr., Slobodan Vucetic

QUATgo: Protein quaternary structural attributes predicted by two-stage machine learning approaches with heterogeneous feature encoding

Chi-Hua Tung, Ching-Hsuan Chien, [ ... ], Yen-Wei Chu

Inhibitory effect of a weight-loss Chinese herbal formula RCM-107 on pancreatic α-amylase activity: Enzymatic and in silico approaches

Shiqi Luo, George Binh Lenon, [ ... ], Linh Toan Nguyen

Difference contact maps: From what to why in the analysis of the conformational flexibility of proteins

Mallika Iyer, Zhanwen Li, [ ... ], Adam Godzik

A study on separation of the protein structural types in amino acid sequence feature spaces

Xiaogeng Wan, Xinying Tan

Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors

Mehreen Gul, Muhammad Fakhar, Najumuddin, Sajid Rashid

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