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
A united residue force-field for calcium–protein interactions
Mey Khalili,Jeffrey A. Saunders,Adam Liwo,Adam Liwo,Stanisław Ołdziej,Stanisław Ołdziej,Harold A. Scheraga +6 more
TL;DR: This force‐field was able to distinguish the EF‐hand motif from all potential binding sites in the crystal structures of bovine α‐lactalbumin, whiting parvalbumin, calbindin D9K, and apo‐calbindinD9K.
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Thermodynamics of the quenching of tyrosyl fluorescence by dithiothreitol.
TL;DR: It is demonstrated that the mechanism of the quenching process is probably static (formation of a complex), and not dynamic (collisional), in origin, and some possible implications with regard to protein-folding studies are discussed.
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Conformational unfolding studies of three-disulfide mutants of bovine pancreatic ribonuclease a and the coupling of proline isomerization to disulfide redox reactions
TL;DR: The ratio of the kinetic unfolding m value to the equilibrium m value indicates that the transition state for conformational unfolding in the mutants exposes little solvent-accessible area, indicating that the unfolding pathway is not dramatically altered by the reduction of the 40-95 or 65-72 disulfide bond.
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Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solution.
TL;DR: Results indicate that four density functional models, namely, OPBE, OPW91, OB98, and OLYP, provide the most accurate functionals with which to reproduce observed 13Cα chemical shifts of proteins in solution, and are among the faster ones.