Can the roles of polar and non-polar moieties be reversed in non-polar solvents?

Autor: Dongmo, Cedrix J., Carrer, Manuel, Houvet, Marine, Skrbic, Tatjana, Graziano, Giuseppe, Giacometti, Achille

Using thermodynamics integration, we study the solvation free energy of 18 amino acid side chain equivalents in solvents with different polarity, ranging from the most polar water to the most non-polar cyclohexane. The amino acid side chain equivalen

Externí odkaz: http://arxiv.org/abs/2010.06332

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What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study

Autor: Thorbjørnsrud, Helen Vikdal, Bressan, Lucas, Khatanbaatar, Tamjidmaa, Carrer, Manuel, Würth-Roderer, Kathrin, Cordara, Gabriele, Kast, Peter, Cascella, Michele, Krengel, Ute

Publikováno v: Thorbjørnsrud, Helen Vikdal Bressan, Lucas Khatanbaatar, Tamjidmaa Carrer, Manuel Würth-Roderer, Kathrin Cordara, Gabriele Kast, Peter Cascella, Michele Krengel, Ute . What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry. 2023
Biochemistry

Externí odkaz: http://hdl.handle.net/10852/99836

The structural basis of the multi-step allosteric activation of Aurora B kinase

Autor: Segura Pena, Dario, Hovet, Oda, Gogoi, Hemanga, Dawicki-Mckenna, Jennine, Wøien, Stine Malene Hansen, Carrer, Manuel, Black, Ben E., Cascella, Michele, Sekulic, Nikolina

Publikováno v: Segura Pena, Dario Hovet, Oda Gogoi, Hemanga Dawicki-Mckenna, Jennine Wøien, Stine Malene Hansen Carrer, Manuel Black, Ben E. Cascella, Michele Sekulic, Nikolina . The structural basis of the multi-step allosteric activation of Aurora B kinase. eLIFE. 2023, 12
eLIFE

Externí odkaz: http://hdl.handle.net/10852/109187