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
Conformational analysis of the 20-residue membrane-bound portion of melittin by conformational space annealing.
TL;DR: It is found that the lowest energy conformation of this peptide from previous investigations is not the global minimum-energy conformation (GMEC); but it belongs to the second lowest energy class of the five classes found here.
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Optical activity of single stranded polydeoxyadenylic and polyriboadenylic acids; dependence of adenine chromophore cotton effects on polymer conformation
C. Allen Bush,Harold A. Scheraga +1 more
TL;DR: From theoretical considerations, it is shown that the 280 mμ band is not an exciton component of the strong π–π* transition at 260 mμ in adenine, and must be assigned to a distinct absorption, not previously reported, which it is suggested arises from an n– π* transition.
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Recent progress in the theoretical treatment of protein folding.
TL;DR: Initial tests are sufficiently encouraging to suggest that the potential functions and computational algorithms are reasonable and extendable to globular proteins containing as many as 200 amino acid residues.
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A combined iterative and boundary-element approach for solution of the nonlinear Poisson-Boltzmann equation
TL;DR: In this article, a general numerical method is presented to solve the nonlinear Poisson-Boltzmann (NLPB) equation for an arbitrarily-shaped solute and the ion-induced potential is calculated by means of an efficient volume integration using an iterative solution of the NLPB equation coupled to the fixed molecular and solvent electrostatic potential.
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