DFGmodel: Predicting Protein Kinase Structure in Inactive States for Structure-based Discovery of Type-II Inhibitors

Notes on 2014 ACS paper introducing DFGmodel, a computational approach to predict kinase inactive structures for type-II inhibitor discovery. Includes insights on DFG-flip and kinase conformational analysis.

Principles of Helix-Helix Packing in Proteins: The Helical Lattice Superposition Model

Notes on the 1996 JMB paper introducing the Helical Lattice Superposition Model for analyzing helix-helix packing geometry in proteins. Explores mathematical formulations of optimal packing angles, comparing ‘knobs into holes’ and ‘ridges into grooves’ models, and provides insights into amino acid preferences and packing flexibility.

Principles of Helix-Helix Packing in Proteins: The Helical Lattice Superposition Model

Notes on the 1996 JMB paper introducing the Helical Lattice Superposition Model for analyzing helix-helix packing geometry in proteins. Explores mathematical formulations of optimal packing angles, comparing ‘knobs into holes’ and ‘ridges into grooves’ models, and provides insights into amino acid preferences and packing flexibility.

Target-Induced Conformational Adaptation of Calmodulin in Complex with Nematode CaMKK Peptide: Insights into Calcium-Dependent Kinase Regulation

Notes on a 2001 Journal of Molecular Biology paper revealing the crystal structure of Ca2+/CaM bound to a CaMKK-derived peptide, highlighting how calmodulin achieves conformational flexibility to accommodate diverse targets — offering a mechanistic basis for how CaM relieves autoinhibition of kinases like CaMKK and mediates calcium signal transduction.

Target-Induced Conformational Adaptation of Calmodulin in Complex with Nematode CaMKK Peptide: Insights into Calcium-Dependent Kinase Regulation

Notes on a 2001 Journal of Molecular Biology paper revealing the crystal structure of Ca2+/CaM bound to a CaMKK-derived peptide, highlighting how calmodulin achieves conformational flexibility to accommodate diverse targets — offering a mechanistic basis for how CaM relieves autoinhibition of kinases like CaMKK and mediates calcium signal transduction.

Comparative Modeling Studies of the Calmodulin-like Domain of CDPK from Soybean

A 2000 PROTEINS paper exploring the structural modeling of the calmodulin-like domain (CLD) of soybean CDPK-α, revealing unique domain features and potential intramolecular regulatory mechanisms based on homology modeling and experimental validation.

Comparative Modeling Studies of the Calmodulin-like Domain of CDPK from Soybean

A 2000 PROTEINS paper exploring the structural modeling of the calmodulin-like domain (CLD) of soybean CDPK-α, revealing unique domain features and potential intramolecular regulatory mechanisms based on homology modeling and experimental validation.

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