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
Structure of the interferon-receptor complex determined by distance constraints from double-mutant cycles and flexible docking.
TL;DR: The structure of the IFN-α2–ifnar2 complex was generated with a docking procedure, using nuclear Overhauser effect-like distance constraints obtained from double-mutant cycle experiments, and showed an almost complete superposition with the ones determined from mutagenesis studies.
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Coupling of conformational folding and disulfide-bond reactions in oxidative folding of proteins.
TL;DR: Experimental data and structural and biochemical arguments suggest that the quasi-stochastic mechanism is more plausible than the folded-precursor mechanism for most proteins.
106
Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
TL;DR: It is demonstrated that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.
104
Preferred conformation of the benzyloxycarbonyl-amino group in peptides.
Ettore Benedetti,Carlo Pedone,Claudio Toniolo,Michael J. Dudek,George Némethy,Harold A. Scheraga +5 more
TL;DR: Structural parameters, derived from X-ray crystallographic data, have been compiled for 35 derivatives of amino acids, peptides, and related compounds, which contain the N-terminal benzyloxycarbonyl (Z) group, indicating that most conformations of Z-amino acid-N'-methylamides and of corresponding Boc derivatives have similar dihedral angles and relative energies.
103