Harold A. Scheraga

75.7k citations

1.2k papers · 60.7k indexed · 15 hit papers · h-index 113

Molecular Biology top 0.01%
Materials Chemistry top 0.05%
Spectroscopy top 0.01%
Atomic and Molecular Physics, and Optics top 0.1%
Organic Chemistry top 0.1%

Co-authors: George Némethy Adam Liwo Frank A. Momany Douglas Poland Antony W. BurgessZhi LiMarcia S. Pottle Nobuhiro Gō
Topics: Protein Structure and Dynamics (512 papers)Enzyme Structure and Function (288 papers)RNA and protein synthesis mechanisms (159 papers)
Cited by: Spectroscopy Molecular Biology Physical and Theoretical Chemistry
Journals: Nature Science Chemical Reviews
Partner nations: United States Poland Argentina

In The Last Decade

Harold A. Scheraga

1.2k papers receiving 56.5k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 1.3k citations Harold A. Scheraga et al. profile →
Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

1987 1.2k citations Harold A. Scheraga et al. Proceedings of the National Academy of Sciences profile →
Global Optimization of Clusters, Crystals, and Biomolecules

1999 886 citations Harold A. Scheraga et al. profile →
Structure of Water and Hydrophobic Bonding in Proteins. I. A Model for the Thermodynamic Properties of Liquid Water

1962 879 citations George Némethy, Harold A. Scheraga profile →
THE STRUCTURE OF WATER AND HYDROPHOBIC BONDING IN PROTEINS. III. THE THERMODYNAMIC PROPERTIES OF HYDROPHOBIC BONDS IN PROTEINS^1,2

1962 833 citations George Némethy, Harold A. Scheraga profile →
Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

1983 808 citations George Némethy, Harold A. Scheraga et al. profile →
Consideration of the Hydrodynamic Properties of Proteins^1,2

1953 637 citations Harold A. Scheraga et al. profile →
Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides.

1987 632 citations Tatsuo Ooi, George Némethy et al. Proceedings of the National Academy of Sciences profile →
Conformational Analysis of the 20 Naturally Occurring Amino Acid Residues Using ECEPP

1977 631 citations George Némethy, Harold A. Scheraga et al. profile →
Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides

1992 575 citations George Némethy, Harold A. Scheraga et al. profile →
Chain reversals in proteins

1973 569 citations Harold A. Scheraga et al. profile →
Structure of Water and Hydrophobic Bonding in Proteins. II. Model for the Thermodynamic Properties of Aqueous Solutions of Hydrocarbons

1962 534 citations George Némethy, Harold A. Scheraga profile →
Disulfide Bonds and Protein Folding

2000 511 citations William J. Wedemeyer, Ervin Welker et al. profile →
Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amides

1974 368 citations Harold A. Scheraga et al. profile →
Ring Closure and Local Conformational Deformations of Chain Molecules

1970 339 citations Harold A. Scheraga et al. profile →

Peers

Countries citing papers authored by Harold A. Scheraga

Since Specialization

Citations

This map shows the geographic impact of Harold A. Scheraga's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Harold A. Scheraga with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Harold A. Scheraga more than expected).

Fields of papers citing papers by Harold A. Scheraga

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Harold A. Scheraga. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Harold A. Scheraga. The network helps show where Harold A. Scheraga may publish in the future.

Co-authorship network of co-authors of Harold A. Scheraga

This figure shows the co-authorship network connecting the top 25 collaborators of Harold A. Scheraga. A scholar is included among the top collaborators of Harold A. Scheraga based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Harold A. Scheraga. Harold A. Scheraga is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Assessing the One-Bond C_α–H Spin–Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches 2020 ·The Journal of Physical Chemistry B ·(unknown),Osvaldo A. Martin,Harold A. Scheraga,Jorge A. Vila	2
2	Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged–Hydrophobic/Polar and Polar–Hydrophobic/Polar Side Chains 2016 ·The Journal of Physical Chemistry B ·Mariusz Makowski,Adam Liwo,Harold A. Scheraga	19
3	Alternative approach to protein structure prediction based on sequential similarity of physical properties 2015 ·Proceedings of the National Academy of Sciences ·Yi He,S. Rackovsky,(unknown),Harold A. Scheraga	13
4	Physics-based method to validate and repair flaws in protein structures 2013 ·Proceedings of the National Academy of Sciences ·Osvaldo A. Martin,Yelena A. Arnautova,(unknown),Harold A. Scheraga,Jorge A. Vila	12
5	Lessons from application of the UNRES force field to predictions of structures of CASP10 targets 2013 ·Proceedings of the National Academy of Sciences ·Yi He,Magdalena A. Mozolewska,Paweł Krupa,Adam K. Sieradzan,Tomasz Wirecki,Adam Liwo,(unknown),S. Rackovsky,(unknown),Rafał Ślusarz,Cezary Czaplewski,Stanisław Ołdziej,Harold A. Scheraga	60
6	What can we learn by computing¹³C^αchemical shifts for X-ray protein models? 2009 ·Acta Crystallographica Section D Biological Crystallography ·Yelena A. Arnautova,Jorge A. Vila,Osvaldo A. Martin,Harold A. Scheraga	17
7	Use of ¹³ C ^α chemical shifts for accurate determination of β-sheet structures in solution 2008 ·Proceedings of the National Academy of Sciences ·Jorge A. Vila,Yelena A. Arnautova,Harold A. Scheraga	17
8	Dissimilarity in the oxidative folding of onconase and ribonuclease A, two structural homologues 2008 ·Protein Engineering Design and Selection ·(unknown),Mahesh Narayan,Guoqiang Xu,Harold A. Scheraga	10
9	Use of Decoys to Optimize an All-Atom Force Field Including Hydration 2008 ·Biophysical Journal ·Yelena A. Arnautova,Harold A. Scheraga	5
10	Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains 2005 ·Proceedings of the National Academy of Sciences ·Adam Liwo,Mey Khalili,Harold A. Scheraga	224
11	A united residue force‐field for calcium–protein interactions 2004 ·Protein Science ·Mey Khalili,Jeffrey A. Saunders,Adam Liwo,Stanisław Ołdziej,Harold A. Scheraga	21
12	Exact analytical loop closure in proteins using polynomial equations 1999 ·Journal of Computational Chemistry ·William J. Wedemeyer,Harold A. Scheraga	82
13	Two new structured intermediates in the oxidative folding of RNase A 1999 ·FEBS Letters ·Ervin Welker,Mahesh Narayan,Michael J. Volles,Harold A. Scheraga	42
14	A statistical analysis of side-chain conformations in proteins: Comparison with ECEPP predictions 1994 ·Journal of Protein Chemistry ·Akbar Nayeem,Harold A. Scheraga	11
15	A Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. II. φ-ψ Maps for N-Acetyl Alanine N′-Methyl Amide: Comparisons, Contrasts and Simple Experimental Tests 1989 ·Journal of Biomolecular Structure and Dynamics ·Irena Roterman,M.H. Lambert,K. D. Gibson,Harold A. Scheraga	142
16	Correlation of β‐bend conformations of tetrapeptides with their activities in CD4‐receptor binding assays 1989 ·International journal of peptide & protein research ·Dipak Shah,James Chen,Robert P. Carty,Matthew R. Pincus,Harold A. Scheraga	21
17	Chain reversals in model peptides: studies of cystine‐containing cyclic peptides II. Effects of valyl residues and possible i‐to‐(i + 3) attractive ionic interactions on cyclization of [Cys¹], [Cys⁶] hexapeptides 1988 ·International journal of peptide & protein research ·Peter J. Milburn,Yvonne C. Meinwald,Sho Takahashi,Tatsuo Ooi,Harold A. Scheraga	21
18	Prediction of probable pathways of folding in globular proteins 1988 ·Journal of Protein Chemistry ·Takeshi Kikuchi,George Némethy,Harold A. Scheraga	12
19	Theory of helix-coil transitions in biopolymers : statistical mechanical theory of order-disorder transitions in biological macromolecules 1970 ·Academic Press eBooks ·Douglas Poland,Harold A. Scheraga	108
20	Contractility and Conformation 1967 ·The Journal of General Physiology ·Harold A. Scheraga	3

About Harold A. Scheraga

Harold A. Scheraga is a scholar working on Spectroscopy, Physical and Theoretical Chemistry and Molecular Biology, having authored 1.2k papers that have together received 60.7k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (512 papers), Enzyme Structure and Function (288 papers) and RNA and protein synthesis mechanisms (159 papers). The work is most often cited by research in Spectroscopy (10.7k citations), Molecular Biology (41.8k citations) and Physical and Theoretical Chemistry (5.0k citations). Harold A. Scheraga has collaborated with scholars based in United States, Poland and Argentina. Frequent co-authors include George Némethy, Adam Liwo, Frank A. Momany, Douglas Poland, Antony W. Burgess, Zhi Li, Marcia S. Pottle, Nobuhiro Gō, Roy A. Scott and William J. Wedemeyer. Their work appears in journals such as Nature, Science and Chemical Reviews.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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