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
Model for the crystal packing and conformational changes of biphenyl in incommensurate phase transitions.
TL;DR: Enthalpy minimization showed an overall decrease in the magnitude of the twist angle down to tau approximately 0 degrees, as well as the evolution of the modulated structures towards the high-temperature structure with increasing pressure, in agreement with evidence for thehigh-pressure limit of the incommensurate biphenyl phases.
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Sequence-specific 1H NMR assignments and identification of slowly exchanging amide protons in murine epidermal growth factor.
TL;DR: Proton nuclear magnetic resonance (1H NMR) assignments for the murine epidermal growth factor (mEGF) in aqueous solution were determined by using two-dimensional NMR at pH 3.1 and 28 degrees C and the sequential assignments by nuclear Overhauser effect spectroscopy are consistent with the chemically determined amino acid sequence.
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Modeling amino acid side chains. 2. Determination of point charges from electrostatic properties: toward transferable point charge models
TL;DR: In this article, an analysis of the charge transferability from one naturally occurring amino acid side chain to another structurally similar one is presented, where point charges fitted to the self-consistent field ab initio electrostatic potential and to the potential created by distributed multipole series are compared, using split-valence type 6-31G wave functions.
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The Lifson‐Allegra theories of the helix–coil transition for random copolymers: Comparison with exact results and extension
TL;DR: In this article, the authors compared the helix-coil transition of Lifson, Lifson and Allegra for random copolymers with the exact results of Lehman and McTague.
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