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SiteBinder - an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.

, , , , , , and . J. Cheminformatics, 4 (S-1): 59 (2012)

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Conformational Analysis and Flexibility of Carbohydrates Using the CICADA Approach with MM3., , and . Journal of Computational Chemistry, 16 (3): 296-310 (1995)In Silico Mutagenesis and Docking Studies of Pseudomonas aeruginosa PA-IIL Lectin Predicting Binding Modes and Energies., , , , and . Journal of Chemical Information and Modeling, 48 (11): 2234-2242 (2008)SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs., , , , , , and . Journal of Chemical Information and Modeling, 52 (2): 343-359 (2012)Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes., , , , , , , , , and . Journal of Chemical Information and Modeling, 51 (8): 1795-1806 (2011)MAPOS: a computer program for organic synthesis design based on synthon model of organic chemistry., and . Journal of Chemical Information and Computer Sciences, 31 (3): 380-386 (1991)MOLE 2.0: advanced approach for analysis of biomacromolecular channels., , , , , , , , and . J. Cheminformatics, (2013)ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank., , , , , , , , and . Nucleic Acids Research, 43 (Database-Issue): 369-375 (2015)PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank., , , , and . Nucleic Acids Research, 43 (Webserver-Issue): W383-W388 (2015)ChannelsDB: database of biomacromolecular tunnels and pores., , , , , , , and . Nucleic Acids Research, 46 (Database-Issue): D399-D405 (2018)TRITON: in silico construction of protein mutants and prediction of their activities., , and . Bioinformatics, 16 (9): 845-846 (2000)