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The structure of protein dynamic space

Proceedings of the National Academy of Sciences - PNAS, 2020-08, Vol.117 (33), p.19938-19942

2020

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Principal Component Analysis for Protein Folding Dynamics

Journal of molecular biology, 2009-01, Vol.385 (1), p.312-329

2009

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Protein-folding dynamics: overview of molecular simulation techniques

Annual review of physical chemistry, 2007-01, Vol.58 (1), p.57-83

2007

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Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding

The journal of physical chemistry. B, 2020-06, Vol.124 (22), p.4391-4398

2020

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The Role of Hydrophobic Interactions in Initiation and Propagation of Protein Folding

Proceedings of the National Academy of Sciences - PNAS, 2006-08, Vol.103 (35), p.13057-13061

2006

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Mean-field interactions between nucleic-acid-base dipoles can drive the formation of a double helix

Physical review letters, 2013-02, Vol.110 (9), p.098101-098101, Article 098101

2013

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George Hess: A scientific appreciation

Proceedings of the National Academy of Sciences - PNAS, 2016-02, Vol.113 (6), p.1466-1467

Scheraga, Harold A.

2016

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Ab initio Simulations of Protein-Folding Pathways by Molecular Dynamics with the United-Residue Model of Polypeptide Chains

Proceedings of the National Academy of Sciences - PNAS, 2005-02, Vol.102 (7), p.2362-2367

2005

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Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics

Journal of chemical information and modeling, 2017-09, Vol.57 (9), p.2364-2377

2017

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Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N‑Terminal Region of Aβ

The journal of physical chemistry. B, 2018-07, Vol.122 (28), p.7049-7056

2018

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Global informatics and physical property selection in protein sequences

Proceedings of the National Academy of Sciences - PNAS, 2016-02, Vol.113 (7), p.1808-1810

2016

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Coarse-grained force field: general folding theory

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (38), p.16890-16901

2011

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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

The journal of physical chemistry. B, 2017-01, Vol.121 (2), p.379-390

2017

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Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

The Journal of chemical physics, 2015-12, Vol.143 (24), p.243111-243111

2015

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Computational techniques for efficient conformational sampling of proteins

Current opinion in structural biology, 2008-04, Vol.18 (2), p.134-139

2008

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Homolog detection using global sequence properties suggests an alternate view of structural encoding in protein sequences

Proceedings of the National Academy of Sciences - PNAS, 2014-04, Vol.111 (14), p.5225-5229

2014

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Mechanism of Fiber Assembly: Treatment of Aβ Peptide Aggregation with a Coarse-Grained United-Residue Force Field

Journal of molecular biology, 2010-12, Vol.404 (3), p.537-552

2010

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Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field

Methods in molecular biology (Clifton, N.J.), 2022, Vol.2340, p.79

2022

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My 65 years in protein chemistry

Quarterly reviews of biophysics, 2015-05, Vol.48 (2), p.117-177

Scheraga, Harold A.

2015

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Assessing the One-Bond Cα–H Spin–Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches

The journal of physical chemistry. B, 2020-02, Vol.124 (5), p.735-741

2020

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Potential of Mean Force of Association of Large Hydrophobic Particles: Toward the Nanoscale Limit

The journal of physical chemistry. B, 2010-01, Vol.114 (2), p.993-1003

2010

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Proline Cis−Trans Isomerization and Protein Folding

Biochemistry (Easton), 2002-12, Vol.41 (50), p.14637-14644

2002

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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations

Journal of chemical theory and computation, 2015-02, Vol.11 (2), p.817-831

2015

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Global Optimization of Clusters, Crystals, and Biomolecules

Science (American Association for the Advancement of Science), 1999-08, Vol.285 (5432), p.1368-1372

1999

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Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH

Proceedings of the National Academy of Sciences - PNAS, 2011-04, Vol.108 (14), p.5602-5607

2011

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The structure of protein dynamic space

Principal Component Analysis for Protein Folding Dynamics

Protein-folding dynamics: overview of molecular simulation techniques

Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding

The Role of Hydrophobic Interactions in Initiation and Propagation of Protein Folding

Mean-field interactions between nucleic-acid-base dipoles can drive the formation of a double helix

George Hess: A scientific appreciation

Ab initio Simulations of Protein-Folding Pathways by Molecular Dynamics with the United-Residue Model of Polypeptide Chains

Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics

Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N‑Terminal Region of Aβ

Global informatics and physical property selection in protein sequences

Coarse-grained force field: general folding theory

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

Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

Computational techniques for efficient conformational sampling of proteins

Homolog detection using global sequence properties suggests an alternate view of structural encoding in protein sequences

Mechanism of Fiber Assembly: Treatment of Aβ Peptide Aggregation with a Coarse-Grained United-Residue Force Field

Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field

My 65 years in protein chemistry

Assessing the One-Bond Cα–H Spin–Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches

Potential of Mean Force of Association of Large Hydrophobic Particles: Toward the Nanoscale Limit

Proline Cis−Trans Isomerization and Protein Folding

Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations

Global Optimization of Clusters, Crystals, and Biomolecules

Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH

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