4 papers
Local Hydration Control and Functional Implications Through S-Nitrosylation of Proteins: Kirsten rat sarcoma virus (KRAS) and Hemoglobin (Hb)
Haydar Taylan Turan, Markus Meuwly
S-nitrosylation, the covalent addition of NO to the thiol side chain of cysteine, is an important post-transitional modification (PTM) that can affect the function of proteins. As…
Solvent Effects on the Menshutkin Reaction
Haydar Taylan Turan, Sebastian Brickel, Markus Meuwly
The Menshutkin reaction is a methyl transfer reaction relevant in fields ranging from biochemistry to chemical synthesis. In the present work, energetics and solvent distributions…
Spectroscopy, Dynamics and Hydration of S-Nitrosylated Myoglobin
Haydar Taylan Turan, Markus Meuwly
S-nitrosylation, the covalent addition of NO to the thiol side chain of cysteine, is an important post-transitional modification that can alter the function of various proteins. Th…
Reactive atomistic simulations of Diels-Alder-type reactions: Conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydride
Uxia Rivero, Haydar Taylan Turan, Markus Meuwly +1
The kinetics, dynamics and conformational specificities for the ionic Diels-Alder reaction (polar cycloaddition) of maleic anhydride with 2,3-dibromobutadiene radical ions have bee…