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
Structure and free energy of complex thermodynamic systems
Zhenqin Li,Harold A. Scheraga +1 more
TL;DR: In this paper, the Monte Carlo-minimization procedure has been applied to determine the structure of a pentapeptide Met-enkephalin, leading consistently to a stable β-bend structure, starting from random initial conformations.
Evidence, from Simulations, of a Single State with Residual Native Structure at the Thermal Denaturation Midpoint of a Small Globular Protein
TL;DR: Findings contradict the quasi-chemical picture of two- or multistate protein folding, which assumes an equilibrium between the folded, unfolded, and intermediate states, and suggest that long-range hydrophobic contacts are the essential factor to keep the structure of a protein thermally stable.
Rotational jumps of the tyrosine side chain in crystalline enkephalin. Hydrogen-2 NMR line shapes for aromatic ring motions in solids
David M. Rice,Richard J. Wittebort,Robert G. Griffin,Eva Meirovitch,E. R. Stimson,Yvonne C. Meinwald,Jack H. Freed,Harold A. Scheraga +7 more
TL;DR: In this paper, the authors used a quadrupole echo to measure the flips of the aromatic tyrosyl ring of polycrystalline poly(3,5-*H2) poly(Leus)enkephalin.
Statistical Mechanical Treatment of Protein Conformation. 6. Elimination of Empirical Rules for Prediction by Use of a High-Order Probability. Correlation between the Amino Acid Sequences and Conformations for Homologous Neurotoxin Proteins
Seiji Tanaka,Harold A. Scheraga +1 more
TL;DR: A general method for predicting protein conformation that is based on a one-dimensional short-range interaction model, and eliminates the need for the empirical rules introduced in papers III and IV is described.