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
Chapter I – Hydrodynamic Properties of Protein Solutions
Harold A. Scheraga
- 01 Jan 1961
TL;DR: In view of the properties of denatured proteins and native ones, the hydrodynamic properties of flexible chain molecules will be considered, as the configuration of the molecule depends on various factors, and a corresponding effect should be expected on theHydrod dynamic properties of such flexible chain molecule.
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Conformational energy refinement of horse-heart ferricytochrome c.
Paul K. Warme,Harold A. Scheraga +1 more
TL;DR: The reported X-ray structure of horse-heart ferricytochrome c has been refined by conformational energy calculations, using a three-stage computational procedure, and a special treatment was required in order to alter the location of the phenyl ring of phenylalanine-82.
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1.21 Computation of Structure, Dynamics, and Thermodynamics of Proteins
S. OŁdziej,Cezary Czaplewski,Adam Liwo,Jorge A. Vila,Harold A. Scheraga +4 more
- 01 Jan 2012
TL;DR: In this article, the force fields used in simulations, both in all-atom and in coarse-grained representations, are discussed in terms of the complication and applicability of the models, including treatment of the solvent and the dependence of the accuracy of the treatment and time/size scale covered by each type of model.
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Dynamic and conformational switching in proteins
TL;DR: Using bioinformatic methods for treating protein dynamics, developed in earlier work, it is shown that sequence mobility drives a transition between two dynamic regimes in proteins, and that the specific details of this transition differ qualitatively between α‐helical proteins and those in other structural classes.
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