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
PDZ binding to the BAR domain of PICK1 is elucidated by coarse-grained molecular dynamics.
TL;DR: Interactions between the component PDZ and BAR domains of PICK1 are identified by calculating possible binding sites for the PDZ domain of PPick1 (PICK1-PDZ) to the homology-modeled, crescent-shaped dimer of the P Pick1-BAR domain using multiplexed replica-exchange molecular dynamics (MREMD) and canonical molecular dynamics simulations with the coarse-grained UNRES force field.
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Expression and Folding of Recombinant Bovine Prethrombin-2 and Its Activation to Thrombin
TL;DR: Results indicate that prethrombin-2 was folded into a conformation similar to that of the wild-type protein, and suggest that the carbohydrate on the B chain of wild- type thrombin does not affect the amidolytic and fibrinolytic activities of throm bin.
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Stability of polypeptide conformational states as determined by computer simulation of the free energy.
TL;DR: The method is applied to a model of decaglycine with rigid geometry, using the potential energy function ECEPP (Empirical Conformational Energy Program for Peptides), and the results show that the α‐helix is a more stable structure than the hairpin.
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Titration behavior of bovine thrombin.
D.J. Winzor,Harold A. Scheraga +1 more
TL;DR: The titration curve of bovine thrombin in 0.1 M KCl has been determined and sedimentation data suggested the presence of monomers and polymers in rapid equilibrium.
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