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
Chemical‐Shift Data for Water and Aqueous Solutions
TL;DR: In this article, the temperature dependence of the proton magnetic resonance signal of water is calculated using theoretical values of xHB vs t from various theories of water structure, and the theoretical curves of δ are compared to the experimental temperature dependence.
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Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N-Terminal Region of Aβ.
TL;DR: The results indicate that the repeat domain of t Tau has a high affinity for Aβ40 fibrils, with the 261GSTENLK267 fragment of tau driving TauRD toward the 16KLVFFA21 fragment in A β40.
Refinement of the molecular structure of actinomycin D by energy minimization.
TL;DR: The atomic coordinates of actinomycin D obtained by x-ray analysis by Sobell et al. have been refined to fit a set of standard bond lengths and bond angles using a least squares procedure and a conformational energy minimization technique.
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Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
TL;DR: In this paper, the authors investigated the convergence behavior of potential of mean force (PMF) calculations using the particle insertion method (PI) and the umbrella sampling with weighted histogram analysis method (WHAM).
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Structures of enzyme-substrate complexes of lysozyme.
TL;DR: The calculated structure of the lysozyme-(GlcNAc)(4) complex is compared with recent experimental data, and it is found that the calculated structure is a reasonable one.
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