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Empirical charges for chemoinformatics applications., , , , , , and . J. Cheminformatics, 6 (S-1): 60 (2014)MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes., , , , , , , , and . Nucleic Acids Res., 42 (Webserver-Issue): 227-233 (2014)Mol* Volumes and Segmentations: visualization and interpretation of cell imaging data alongside macromolecular structure data and biological annotations., , , , , , , , and . Nucleic Acids Res., 51 (W1): 326-330 (July 2023)αCharges: partial atomic charges for AlphaFold structures in high quality., , , , , , and . Nucleic Acids Res., 51 (W1): 11-16 (July 2023)PDBe-KB: a community-driven resource for structural and functional annotations., , , , , , , , , and 45 other author(s). Nucleic Acids Res., 48 (Database-Issue): D344-D353 (2020)Four simple recommendations to encourage best practices in research software., , , , , , , , , and 39 other author(s). F1000Research, (2017)Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme., , , and . J. Comput. Chem., 30 (7): 1174-1178 (2009)BinaryCIF and CIFTools - Lightweight, efficient and extensible macromolecular data management., , , , , , and . PLoS Comput. Biol., (2020)How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?, , , , , , , and . J. Chem. Inf. Model., 55 (6): 1088-1097 (2015)Identification of Potential Small Molecule Peptidomimetics Similar to Motifs in Proteins., , , , , and . J. Chem. Inf. Model., 47 (2): 464-474 (2007)