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Protein Tyrosine Phosphatase, Non-Receptor Type 1

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Predicting cryptic ligand binding sites based on normal modes guided conformational sampling.

Proteins 33244830
To greatly expand the druggable genome, fast and accurate predictions of cryptic sites for small molecules binding in target proteins are in high demand. In this study, we have developed a fast and simple conformational sampling scheme guided by norm...
Algorithms Antigens, CD Antigens, Neoplasm Area Under Curve Binding Sites Computational Biology Coronavirus 3C Proteases Coronavirus Papain-Like Proteases Elasticity Exportin 1 Protein Hepacivirus Humans Interleukin-2 Karyopherins Ligands Machine Learning Models, Statistical Molecular Dynamics Simulation Protein Conformation Protein Tyrosine Phosphatase, Non-Receptor Type 1 Receptors, Cytoplasmic and Nuclear Regression Analysis Reproducibility of Results ROC Curve SARS-CoV-2
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