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
Effect of short- and long-range interactions on protein folding
TL;DR: In this article, the relative importance of short and long-range interactions was examined using a Monte Carlo simulation of protein folding on bovine pancreatic trypsin inhibitor, and the model of the protein and the interaction energies were parametrized using X-ray structures of 30 native proteins.
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Comparison of three-dimensional structures of macromolecules
TL;DR: The computer program described here enables two structures to be displayed alternately or simultaneously on a cathode ray tube; it also makes provision for real-time rotations of molecules containing of the order of 1000 atoms, thus creating an impression of three-dimensionality.
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On the pH-conformational dependence of the unblocked SYPYD peptide.
TL;DR: Monte Carlo simulations provide a basis for discussing the nature of the interactions that stabilize turn-like conformations of the peptide SYPYD as a function of pH.
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Structure of liquid water. III. Thermodynamic properties of liquid deuterium oxide
TL;DR: A statistical thermodynamic treatment of a cluster model for liquid water was adapted to D$sub 2$O in this paper, where the intermolecular vibrational spectral density was calculated from the normal mode vibrational frequencies of the clusters and the distribution of cluster sizes.
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