What packages can be used to calculate protein structural features and variables?
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Various R packages are available for calculating protein structural features and variables. The Fiscore package offers tools for assessing protein conformational and topological features, implementing Gaussian mixture modeling for machine learning accessibility, aiding in drug discovery, target evaluation, and database building. Bio3D provides functionalities for biomolecular sequence and structure analysis, including ensemble difference distance matrix analysis (eDDM) for identifying residue determinants in functional processes. Additionally, the IPFP software tool predicts core amino acids, calculates distances between residues, and predicts distances from ions to amino acids, aiding in protein modeling and design. These packages cater to different aspects of protein structure analysis, offering a comprehensive toolkit for researchers in the field.
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| Papers (5) | Insight |
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| The Fiscore package is effective for calculating protein structural features and variables, providing interactive exploration and Gaussian mixture modelling for non-experts. | |
01 Jan 2018 2 Citations | Machine learning tools and data mining methods are utilized for predicting protein structural features, with packages like neural networks, HMMs, and SVM techniques commonly employed in protein structure prediction. |
133 Citations | The Bio3D packages, including the new Bio3D-eddm package, can be used to calculate protein structural features and variables using methods like ensemble difference distance matrix analysis (eDDM). |
01 Nov 2021 | Fiscore Package is effective for calculating protein structural features and variables, offering Gaussian mixture modeling and interactive exploration tools for non-experts. |
| The IPFP software package integrates tools for predicting core amino acids, calculating distances between residues, and predicting interactions with ions and water molecules in proteins. |
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