Exploring species-specific inhibitors with multiple target sites on S. aureus pyruvate kinase using a computational workflow
Author:
Affiliation:
1. Department of Chemical Engineering, Istanbul Technical University, Istanbul, Turkey
2. Computational Science and Engineering Division, Informatics Institute, Istanbul Technical University, Istanbul, Turkey
Funder
Scientific and Technological Research Council of Turkey
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2051743
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1. Essential dynamics of proteins
2. Cheminformatics-Driven Discovery of Selective, Nanomolar Inhibitors for Staphylococcal Pyruvate Kinase
3. Identification of Alternative Allosteric Sites in Glycolytic Enzymes for Potential Use as Species-Specific Drug Targets
4. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
5. Centrality Measures in Residue Interaction Networks to Highlight Amino Acids in Protein–Protein Binding
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