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
DNA Duplex Formation with a Coarse-Grained Model.
TL;DR: This is the first coarse-grained model of DNA, in which both bonded and nonbonded interactions were parametrized ab initio and which folds stable double helices from separated complementary strands, with the final conformation close to the geometry of experimentally determined structures.
Conformation-family Monte Carlo: A new method for crystal structure prediction
Jaroslaw Pillardy,Yelena A. Arnautova,Cezary Czaplewski,Kenneth D. Gibson,Harold A. Scheraga +4 more
TL;DR: This paper adapted the Conformation-family Monte Carlo method for prediction of crystal structures of organic molecules without assuming any symmetry constraints except the number of molecules in the unit cell to perform well for rigid molecules and reasonably well for molecules with torsional degrees of freedom.
Molecular weight of bovine fibrinogen by sedimentation equilibrium.
TL;DR: The present results give the molecular weight of bovine fibrinogen as (3.36 ± 0.04) × 10 5 , with no indication of dissociation at 37 ° or in the presence of EDTA.
Statistical mechanics of noncovalent bonds in polyamino acids. VIII. Covalent loops in proteins
TL;DR: The effect of covalently crosslinked loops on the entropy of polypeptide chains is discussed and it is seen that the presence of the loop stabilizes the helical forms and broadens the transition (because of the increased importance of intermediate states).
Preferential sampling near solutes in monte carlo calculations on dilute solutions
TL;DR: In this article, a Monte Carlo algorithm is described which concentrates sampling in the neighborhood of the solute molecule in calculations on dilute solutions, which improves the computational efficiency in the determination of many solution properties.