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
Structural aspects of thrombin specificity.
TL;DR: Computer-assisted comparisons were made of the X-ray coordinates of all homologous atoms in the serine protease derivatives tosyl chymotrypsin Aα, toSyl elastase, and diisopropylphosphoryl trypsin, providing further quantitative support for the belief that sequence homology in proteins results in close similarity of conformation.
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H and 13C nuclear magnetic resonance spectra of some peptides with fibrinogen-like reactivity.
Ian D. Rae,Harold A. Scheraga +1 more
TL;DR: It is proposed that this feature (in which Phe could be situated near Val and near the Arg-Gly bond of the A alpha chain in the three-dimensional structure of fibrinogen) may be especially advantageous for binding to the enzyme.
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: molecular dynamics study of a pair of methane molecules in water at various temperatures.
Emil Sobolewski,Mariusz Makowski,Mariusz Makowski,Stanisław Ołdziej,Stanisław Ołdziej,Cezary Czaplewski,Cezary Czaplewski,Adam Liwo,Adam Liwo,Harold A. Scheraga +9 more
TL;DR: The curves of the dimensionless PMF obtained at different temperatures with the NVT scheme overlap almost perfectly in the region of the contact minimum and still very well in the regions of the desolvation maximum and the solvent-separated minimum, which suggests that the temperature-dependent hydrophobic interaction potentials at constant volume in united-residue force fields can be obtained by scaling the respective dimensionless potentials by RT.
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