Harold A. Scheraga

ScholarGPS™ ID: 13342831688933

Affiliation
Cornell University, Ithaca, United States
Affiliation History

Field
Physical Sciences and Mathematics
Discipline
Chemistry
Top Specialties
Energy | Physical Chemistry | Peptide | Protein Structure | Protein Folding | Biophysics | Chemical Physics | Side Chain | Computational Chemistry | Conformational Isomerism | Thermodynamics | Natural Product | Mathematical Optimization | Spectroscopy | Hydrogen Bond
Metrics Summary
Publication Count
1,405
Predicted Citations
102,526
Predicted h-index
148
Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

  • Publications
  • Books
  • Patents
  • NIH/NSF
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Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field (book chapter)
In Computer Simulations of Aggregation of Proteins and Peptides
Rojas, Ana V. | Maisuradze, Gia G. | Scheraga, Harold A. | Liwo, Adam
Springer US (2022)
10.1007/978-1-0716-1546-1_5
Cited by (1) | Cite | Source
Dynamic and conformational switching in proteins (journal article)
Scheraga, H.A. | Rackovsky, S.
Biopolymers, volume 112, issue 10 (2021).
10.1002/bip.23411
Cited by (3) | Cite | Source
Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics (journal article)
Sieradzan, Adam K. | Korneev, Anatolii | Begun, Alexander | Kachlishvili, Khatuna | Scheraga, Harold A. | Molochkov, Alexander | Senet, Patrick | Niemi, Antti J. | Maisuradze, Gia G.
Journal of Chemical Theory and Computation, volume 17, issue 5, pages 3203-3220 (2021).
10.1021/acs.jctc.1c00155
Cited by (9) | Cite | Source
The structure of protein dynamic space (journal article)
Rackovsky, S. | Scheraga, Harold A.
Proceedings of the National Academy of Sciences, volume 117, issue 33, pages 19938-19942 (2020).
10.1073/pnas.2008873117
Cited by (8) | Cite | Source
Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding (journal article)
Grassein, Paul | Delarue, Patrice | Nicolaï, Adrien | Neiers, Fabrice | Scheraga, Harold A. | Maisuradze, Gia G. | Senet, Patrick
The Journal of Physical Chemistry B, volume 124, issue 22, pages 4391-4398 (2020).
10.1021/acs.jpcb.0c01230
Cited by (5) | Cite | Source
New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain (journal article)
Kachlishvili, Khatuna | Korneev, Anatolii | Maisuradze, Luka | Liu, Jiaojiao | Scheraga, Harold A. | Molochkov, Alexander | Senet, Patrick | Niemi, Antti J. | Maisuradze, Gia G.
The Journal of Physical Chemistry B, volume 124, issue 19, pages 3855-3872 (2020).
10.1021/acs.jpcb.0c00628
Cited by (4) | Cite | Source
PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking (journal article)
Hwang, Sung Bo | Lee, Chang Joon | Lee, Sehan | Ma, Songling | Kang, Young-Mook | Cho, Kwang Hwi | Kim, Su-Yeon | Kwon, Oh Young | Yoon, Chang No | Kang, Young Kee | ... | No, Kyoung Tai
The Journal of Physical Chemistry B, volume 124, issue 6, pages 974-989 (2020).
10.1021/acs.jpcb.9b10339
Cited by (6) | Cite | Source
Assessing the One-Bond Cα –H Spin–Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches (journal article)
Arroyuelo, Agustina | Martin, Osvaldo A. | Scheraga, Harold A. | Vila, Jorge A.
The Journal of Physical Chemistry B, volume 124, issue 5, pages 735-741 (2020).
10.1021/acs.jpcb.9b10123
Cited by (2) | Cite | Source
Sequence‐specific dynamic information in proteins (journal article)
Scheraga, H. A. | Rackovsky, S.
Proteins: Structure, Function, and Bioinformatics, volume 87, issue 10, pages 799-804 (2019).
10.1002/prot.25747
Cited by (6) | Cite | Source
Outline of an experimental design aimed to detect protein A mirror image in solution (journal article)
Martin, Osvaldo A. | Vorobjev, Yury | Scheraga, Harold A. | Vila, Jorge A.
PeerJ Physical Chemistry, volume 1 (2019).
10.7717/peerj-pchem.2
Cited by (1) | Cite | Source
Simulations of the Folding of Proteins: A Historical Perspective (book chapter)
In Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes
Scheraga, Harold A.
Springer International Publishing (2019)
10.1007/978-3-319-95843-9_1
Cite | Source
Does protein A mirror image exist in solution? Outline of an experimental design aimed to detect it (journal article)
Martin, Osvaldo A. | Vorobjev, Yury N. | Scheraga, Harold A. | Vila, Jorge A.
bioRxiv (2018).
10.1101/486514
Cite | Source
A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields (journal article)
Sieradzan, Adam K. | Giełdoń, Artur | Yin, Yanping | He, Yi | Scheraga, Harold A. | Liwo, Adam
Journal of Computational Chemistry, volume 39, issue 28, pages 2360-2370 (2018).
10.1002/jcc.25571
Cited by (10) | Cite | Source
A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris (journal article)
Vorobjev, Yury N. | Scheraga, Harold A. | Vila, Jorge A.
Journal of Biomolecular Structure and Dynamics, volume 36, issue 12, pages 3094-3105 (2018).
10.1080/07391102.2017.1377636
Cited by (3) | Cite | Source
Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N-Terminal Region of Aβ (journal article)
Rojas, Ana V. | Maisuradze, Gia G. | Scheraga, Harold A.
The Journal of Physical Chemistry B, volume 122, issue 28, pages 7049-7056 (2018).
10.1021/acs.jpcb.8b04647
Cited by (20) | Cite | Source
From a Highly Disordered to a Metastable State: Uncovering Insights of α-Synuclein (journal article)
Cote, Yoann | Delarue, Patrice | Scheraga, Harold A. | Senet, Patrick | Maisuradze, Gia G.
ACS Chemical Neuroscience, volume 9, issue 5, pages 1051-1065 (2018).
10.1021/acschemneuro.7b00446
Cited by (22) | Cite | Source
Use of Coarse-Grained and All-Atom Molecular Dynamics to Study Hsp70 and Hsp40 Chaperone Action (book chapter)
In Role of Molecular Chaperones in Structural Folding, Biological Functions, and Drug Interactions of Client Proteins
Gołas, Ewa I. | Mozolewska, Magdalena A. | Krupa, Paweł | Czaplewski, Cezary | Scheraga, Harold A. | Liwo, Adam
BENTHAM SCIENCE PUBLISHERS (2018)
10.2174/9781681086156118010004
Cite | Source
Statistical Model To Decipher Protein Folding/Unfolding at a Local Scale (journal article)
Grassein, Paul | Delarue, Patrice | Scheraga, Harold A. | Maisuradze, Gia G. | Senet, Patrick
The Journal of Physical Chemistry B, volume 122, issue 13, pages 3540-3549 (2018).
10.1021/acs.jpcb.7b10733
Cited by (5) | Cite | Source
Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa’s of proteins as a function of pH. Test on a large set of proteins (journal article)
Vorobjev, Yury N. | Scheraga, Harold A. | Vila, Jorge A.
Journal of Biomolecular Structure and Dynamics, volume 36, issue 3, pages 561-574 (2018).
10.1080/07391102.2017.1288169
Cited by (9) | Cite | Source
Lysosomal enzyme tripeptidyl peptidase 1 destabilizes fibrillar Aβ by multiple endoproteolytic cleavages within the β-sheet domain (journal article)
Solé-Domènech, Santiago | Rojas, Ana V. | Maisuradze, Gia G. | Scheraga, Harold A. | Lobel, Peter | Maxfield, Frederick R.
Proceedings of the National Academy of Sciences, volume 115, issue 7, pages 1493-1498 (2018).
10.1073/pnas.1719808115
Cited by (27) | Cite | Source