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
Conformational studies of poly‐L‐alanine in water
TL;DR: In the presence of salt, or when the ε‐amino groups of the lysyl residues are not protonated, the helical form of the two large polymers is more stable than in water, and this conformation is stabilized by interchain hydrophobia bonds.
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Helix-coil stability constants for the naturally occurring amino acids in water. 22. Histidine parameters from random poly[(hydroxybutyl)glutamine-co-L-histidine]
TL;DR: Synthese de ces copolymeres solubles dans l'eau transition helice pelote reduite thermiquement dans le eau et en solution aqueuse de KCl.
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Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: Application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K
TL;DR: It appears that the CSA method with the UNRES force field, which is based on the thermodynamic hypothesis, can be used in prediction of protein structures in real time.
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Molecular Dynamics with the United-Residue Model of Polypeptide Chains. II. Langevin and Berendsen-Bath Dynamics and Tests on Model α-Helical Systems
TL;DR: The implementation of molecular dynamics (MD) with the authors' physics-based protein united-residue (UNRES) force field was extended to Langevin dynamics and it can be concluded that the UNRES/MD approach will enable us to carry out microsecond and, possibly, millisecond simulations of protein folding and, consequently, of the folding process of proteins in real time.
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