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 hydration on the conformational stability and formation of bends in terminally blocked dipeptides
TL;DR: In this paper, the conformations of 23 terminally blocked dipeptide sequences were examined by conformational energy calculations that included the effects of the aqueous solvent, and the starting structures were derived from combinations of minimum-energy conformations.
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Description of hydration free energy density as a function of molecular physical properties.
TL;DR: A method to calculate the solvation free energy density (SFED) at any point in the cavity surface or solvent volume surrounding a solute is proposed and agrees well with the experimental results.
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Theory of the cooperative transition between two ordered conformations of poly(L-proline). III. Molecular theory in the presence of solvent.
Seiji Tanaka,Harold A. Scheraga +1 more
TL;DR: It was found that the thermally induced transition between form I and II under vacuum occurs with the pyrrolidine rings remaining in the down conformation, and the calculated values of s suggest that form I is more stable than form II in the regular down chain, while form II is morestable than form I in theregular up chain under vacuum at room temperature.
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