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
Theoretical studies of protein conformation by means of energy computations.
TL;DR: Examples cited among applications of conformational energy computations include refinement of X‐ray crystallographic structures, the use of computations in conjunction with NMR data, and prediction of the structures of proteins based on either homology or on other procedures that surmount the multiple‐minima problem.
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Influence of lysine content and pH on the stability of alanine-based copolypeptides.
TL;DR: To account for the relative contributions of lysine and alanine residues to the stability of alpha-helices of copolymers of these two residues, conformational energy calculations were carried out for several hexadecapeptides at several pHs.
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Analytical intermolecular potential functions from ab initio SCF calculations for hydration of methylamine and methylammonium ion
TL;DR: In this article, the interaction energies between water and methylamine were derived from ab initio SCF calculations, using a 6-31G basis set, and they were used for Monte Carlo calculations to obtain free energies of hydration.
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