Visualitza QFA_Articles per autoria "a9e99c18-1d40-4b3e-8cbf-447368bf4995"
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Effective approach for calculations of absolute stability of proteins using focused dielectric constants
Vicatos, Spyridon; Roca, Maite; Warshel, Arieh John Wiley & Sons, Inc. (2009-11)The ability to predict the absolute stability of proteins based on their corresponding sequence and structure is a problem of great fundamental and practical importance. In this work, we report an extensive, refinement and ... -
Electrostatic Contributions to Protein Stability and Folding Energy
Roca, Maite; Messer, Benjamin; Warshel, Arieh Federation of European Biochemical Societies (2007-05-15)The ability to predict the thermal stability of proteins based on their corresponding sequence is a problem of great fundamental and practical importance. Here we report an approach for calculating the electrostatic ... -
On the relationship between folding and chemical landscapes in enzyme catalysis
Roca, Maite; Messer, Benjamin; Hilvert, Donald; Warshel, Arieh National Academy of Sciences (2008-09-16)Elucidating the relationship between the free energy landscape of enzymes and their catalytic power has been one of the challenges of modern enzymology. The present work explores this issue by using a simplified folding ... -
On the relationship between thermal stability and catalytic power of enzymes
Roca, Maite; Liu, Hanbin; Messer, Benjamin; Warshel, Arieh ACS Publications (2007-12-25)The possible relationship between the thermal stability and the catalytic power of enzymes is of great current interest. In particular, it has been suggested that thermophilic or hyperthermophilic ...