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Harold A. Scheraga

Harold A. Scheraga

D-Index & Metrics

Chemistry

D-Index
152
Citations
100053
World Ranking
121
National Ranking
62

Research.com Recognitions

  • 2009 - Fellow of the American Chemical Society
  • 2009 - Murray Goodman Memorial Prize, American Chemical Society (ACS)
  • 1985 - Linus Pauling Award, American Chemical Society (ACS)
  • 1974 - William H. Nichols Medal, American Chemical Society (ACS)
  • 1967 - Fellow of the American Academy of Arts and Sciences
  • 1966 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1966 - Member of the National Academy of Sciences
  • 1962 - Fellow of John Simon Guggenheim Memorial Foundation
  • 1956 - Fellow of John Simon Guggenheim Memorial Foundation

Overview

Harold A. Scheraga was affiliated with Cornell University in the United States. His research primarily covered topics in biochemistry, genetics, and molecular biology, with significant contributions in materials science.

The main fields of study addressed in Scheraga's work included:

  • Biochemistry, Genetics and Molecular Biology
  • Materials Science

More specific subfields in which Scheraga contributed were:

  • Molecular Biology
  • Materials Chemistry
  • Cell Biology
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

The principal topics of his scientific publications involved:

  • Protein Structure and Dynamics
  • Enzyme Structure and Function
  • RNA and Protein Synthesis Mechanisms
  • Microtubule and Mitosis Dynamics
  • Molecular Spectroscopy and Chirality
  • Machine Learning in Bioinformatics
  • Spectroscopy and Quantum Chemical Studies

Harold A. Scheraga had multiple recent publications including:

  • "The structure of protein dynamic space", 2020, Proceedings of the National Academy of Sciences
  • "PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking", 2020, The Journal of Physical Chemistry B
  • "Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics", 2021, Journal of Chemical Theory and Computation
  • "Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding", 2020, The Journal of Physical Chemistry B
  • "New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain", 2020, The Journal of Physical Chemistry B

Frequently published venues included:

  • The Journal of Physical Chemistry B
  • Proceedings of the National Academy of Sciences
  • Journal of Chemical Theory and Computation
  • Biopolymers
  • Methods in Molecular Biology

Among Scheraga's frequent co-authors were:

  • Gia G. Maisuradze
  • Patrick Senet
  • S. Rackovsky
  • Anatolii Korneev
  • Khatuna Kachlishvili

Scheraga received several honors throughout his career, including:

  • Fellow of the American Chemical Society (2009)
  • Murray Goodman Memorial Prize, American Chemical Society (2009)
  • Linus Pauling Award, American Chemical Society (1985)
  • William H. Nichols Medal, American Chemical Society (1974)
  • Fellow of the American Academy of Arts and Sciences (1967)
  • Fellow of the American Association for the Advancement of Science (1966)
  • Member of the National Academy of Sciences (1966)
  • Fellow of John Simon Guggenheim Memorial Foundation (1962 and 1956)

Best Publications

  • 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

    F. A. Momany;R. F. McGuire;A. W. Burgess;Harold A. Scheraga

  • Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

    Zhenqin Li;Harold A. Scheraga

  • Structure of Water and Hydrophobic Bonding in Proteins. I. A Model for the Thermodynamic Properties of Liquid Water

    George Némethy;Harold A. Scheraga

  • THE STRUCTURE OF WATER AND HYDROPHOBIC BONDING IN PROTEINS. III. THE THERMODYNAMIC PROPERTIES OF HYDROPHOBIC BONDS IN PROTEINS1,2

    George Némethy;Harold A. Scheraga

  • Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

    George Nemethy;Marcia S. Pottle;Harold A. Scheraga

  • Global optimization of clusters, crystals, and biomolecules

    David J. Wales;Harold A. Scheraga

  • Experimental and theoretical aspects of protein folding.

    Anfinsen Cb;Scheraga Ha

  • Accessible Surface Areas as a Measure of the Thermodynamic Parameters of Hydration of Peptides

    Tatsuo Ooi;Motohisa Oobatake;George Nemethy;Harold A. Scheraga

  • Consideration of the Hydrodynamic Properties of Proteins1,2

    Harold A. Scheraga;Leo Mandelkern

  • Conformational Analysis of the 20 Naturally Occurring Amino Acid Residues Using ECEPP

    S. Scott Zimmerman;Marcia S. Pottle;George Némethy;Harold A. Scheraga

  • Chain reversals in proteins

    Peter N Lewis;Frank A Momany;Harold A Scheraga

  • Structure of Water and Hydrophobic Bonding in Proteins. II. Model for the Thermodynamic Properties of Aqueous Solutions of Hydrocarbons

    George Némethy;Harold A. Scheraga

  • Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides

    George Nemethy;Kenneth D. Gibson;Kathleen A. Palmer;Chang No. Yoon

  • Disulfide Bonds and Protein Folding

    William J. Wedemeyer;Ervin Welker;Mahesh Narayan;Harold A. Scheraga

  • Medium- and long-range interaction parameters between amino acids for predicting three-dimensional structures of proteins.

    Seiji Tanaka;Harold A. Scheraga

  • 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

    F. A. Momany;L. M. Carruthers;R. F. McGuire;H. A. Scheraga

  • Proline Cis-Trans Isomerization and Protein Folding †

    William J. Wedemeyer;Ervin Welker;Harold A. Scheraga

  • Ring Closure and Local Conformational Deformations of Chain Molecules

    Nobuhiro Go;Harold A. Scheraga

  • Conformational Analysis of Macromolecules. III. Helical Structures of Polyglycine and Poly‐L‐Alanine

    Roy A. Scott;Harold A. Scheraga

  • Crystal structure prediction of small organic molecules: a second blind test

    W.D.S. Motherwell;H.L. Ammon;J.D. Dunitz;A. Dzyabchenko

  • Structure of Water and Hydrophobic Bonding in Proteins. IV. The Thermodynamic Properties of Liquid Deuterium Oxide

    George Némethy;Harold A. Scheraga

Frequent Co-Authors

Adam Liwo
Adam Liwo University of Gdańsk
George Nemethy
George Nemethy Cornell University
Gaetano T. Montelione
Gaetano T. Montelione Rensselaer Polytechnic Institute
Antony W. Burgess
Antony W. Burgess Walter and Eliza Hall Institute of Medical Research
Kuo-Chen Chou
Kuo-Chen Chou The Gordon Life Science Institute
Frederick R. Maxfield
Frederick R. Maxfield Cornell University
Michael Laskowski
Michael Laskowski Purdue University West Lafayette
Walid A. Houry
Walid A. Houry University of Toronto
Jon Clardy
Jon Clardy Harvard University
Raphael A. Nemenoff
Raphael A. Nemenoff University of Colorado Anschutz Medical Campus

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