Computational Protein–Protein Docking

Zacharias, Martin

doi:10.1002/9783527830503.ch4

Protein Interactions 2022

DOI: 10.1002/9783527830503.ch4

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Computational Protein–Protein Docking

Martin Zacharias

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2024

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Cited by 2 publications

References 120 publications

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Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Kaewpirom,

Piboonnithikasem,

Sroisroemsap

et al. 2024

Sci Rep

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This study explores the modification of silk fibroin films for hydrophilic coating applications using various sugar alcohols. Films, prepared via solvent casting, incorporated glycerol, sorbitol, and maltitol, revealing distinctive transparency and UV absorption characteristics based on sugar alcohol chemical structures. X-ray diffraction confirmed a silk I to silk II transition influenced by sugar alcohols. Glycerol proved most effective in enhancing the β-sheet structure. The study also elucidated a conformational shift towards a β-sheet structure induced by sugar alcohols. Silk fibroin–sugar alcohol blind docking and sugar alcohol-sugar alcohol blind docking investigations were conducted utilizing the HDOCK Server. The computer simulation unveiled the significance of size and hydrogen bonding characteristics inherent in sugar alcohols, emphasizing their pivotal role in influencing interactions within silk fibroin matrices. Hydrophilicity of ozonized silicone surfaces improved through successful coating with silk fibroin films, particularly glycerol-containing ones, resulting in reduced contact angles. Strong adhesion between silk fibroin films and ozonized silicone surfaces was evident, indicating robust hydrogen bonding interactions. This comprehensive research provides crucial insights into sugar alcohols’ potential to modify silk fibroin film crystalline structures, offering valuable guidance for optimizing their design and functionality, especially in silicone coating applications.

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Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Kaewpirom,

Piboonnithikasem,

Sroisroemsap

et al. 2024

Sci Rep

View full text Add to dashboard Cite

show abstract

Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation & Future Prospects

Sahu,

Nayak,

Hailemeskel

et al. 2024

Int J Pharm Res Allied Sci

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Computational Protein–Protein Docking

Cited by 2 publications

References 120 publications

Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation & Future Prospects

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Computational Protein–Protein Docking

Cited by 2 publications

References 120 publications

Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Tailoring silk fibroin hydrophilicity and physicochemical properties using sugar alcohols for medical device coatings

Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation &amp; Future Prospects

Contact Info

Product

Resources

About

Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation & Future Prospects