Harold A. Scheraga
Cornell University
1160 Papers
25.6K Citations
Harold A. Scheraga is an academic researcher from Cornell University. The author has contributed to research in topics: Protein structure & Protein folding. The author has an hindex of 120, co-authored 1152 publications. Previous affiliations of Harold A. Scheraga include University of Gdańsk & National University of San Luis.
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Papers
Influence of an extrinsic cross-link on the folding pathway of ribonuclease A. Conformational and thermodynamic analysis of cross-linked (lysine7-lysine41)-ribonuclease a.
TL;DR: It is concluded that the extrinsic cross-link between Lys7 and Lys41, formed by the dinitrophenylene group, does not affect the native conformation of ribonuclease A but destabilizes the denatured conformation, probably by decreasing its chain entropy.
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Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical mode.
TL;DR: The results demonstrate that the present U(rot) components must be replaced with more numerically stable functions and suggests that the effective (event-based) time unit in UNRES dynamics is much larger than that of all-atom dynamics because of averaging over the fast-moving degrees of freedom in deriving the UNRES potential.
Status of empirical methods for the prediction of protein backbone topography.
TL;DR: It is shown that this statistical error plays a large role in limiting the accuracy of all prediture, and it seems unlikely that any prediction method can significantly improve on this accuracy for assigning residues for specific backbone conformations unless the size of the data base is increased greatly.
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