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
Calorimetric measurement of enthalpy change in the isothermal helix–coil transition of poly(L‐ornithine) in aqueous solution
Peter Y. Chou,Harold A. Scheraga +1 more
TL;DR: Since it was discovered that poly(L‐ornithine) undergoes chain cleavage at high pH, the calorimetric measurements were carried out under conditions where no degradation occurred.
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Minimization of polypeptide energy, viii. application of the deflation technique to a dipeptide
TL;DR: Of special interest is a deep minimum near (varphi,Psi) approximately (240 degrees , 120 degrees ) which was found by the deflation technique but which had usually been overlooked in previous investigations.
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Role of Hydrophobicity and Solvent-Mediated Charge-Charge Interactions in Stabilizing α-Helices
TL;DR: Results from these simulations indicate that conformations containing right-handed alpha-helical turns are energetically favorable at low values of pH for lysine-based oligopeptides, providing a sound basis with which to discuss the nature of the interactions, such as hydrophobicity, charge-charge interaction, and solvent polarization effects, that stabilize right- handed alpha- Helical conformations.
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Addition of side chains to a known backbone with defined side-chain centroids.
TL;DR: An automatic procedure is proposed for adding side chains to a protein backbone; it is based on optimization of a simplified energy function for peptide side chains, given its backbone and positions of side-chain centroids.
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