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
Factors affecting the computation of the 13C shielding in disaccharides.
Pablo Germán Garay,Osvaldo A. Martin,Osvaldo A. Martin,Harold A. Scheraga,Jorge A. Vila,Jorge A. Vila +5 more
TL;DR: Evidence is provided that the carbons that participate in the glycosidic linkage are the most sensitive probes with which to sense conformational changes of disaccharides.
Molecular dynamics of protein A and a WW domain with a united-residue model including hydrodynamic interaction.
Agnieszka G. Lipska,Agnieszka G. Lipska,Steven R. Seidman,Steven R. Seidman,Steven R. Seidman,Adam K. Sieradzan,Artur Giełdoń,Adam Liwo,Harold A. Scheraga +8 more
TL;DR: It was found that introducing hydrodynamic interactions slows down both the formation of an intermediate state and the transition from the collapsed structures to the final native-like structures by creating multiple kinetic traps.
Respice, Adspice, and Prospice
TL;DR: The title, "Look to the past, look to the present, and Look to the future," the motto of City College of New York, expresses how my family life and education led me to an academic career in physical chemistry and ultimately to a study of proteins.
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Dynamics of peptides with fixed geometry: kinetic energy terms and potential energy derivatives as functions of dihedral angles
TL;DR: In this paper, the authors derived expressions for computing the kinetic energy of a peptide with fixed geometry, in terms of dihedral angles as generalized coordinates; other expressions required for the solution of Lagrange's equations are also presented.
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