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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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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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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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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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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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Lysosomal enzyme tripeptidyl peptidase 1 destabilizes fibrillar Aβ by multiple endoproteolytic cleavages within the β-sheet domain

Proceedings of the National Academy of Sciences - PNAS, 2018-02, Vol.115 (7), p.1493-1498

2018

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Insufficiently Dehydrated Hydrogen Bonds as Determinants of Protein Interactions

Proceedings of the National Academy of Sciences - PNAS, 2003-01, Vol.100 (1), p.113-118

2003

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Anomalous diffusion and dynamical correlation between the side chains and the main chain of proteins in their native state

Proceedings of the National Academy of Sciences - PNAS, 2012-06, Vol.109 (26), p.10346-10351

2012

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Alternative approach to protein structure prediction based on sequential similarity of physical properties

Proceedings of the National Academy of Sciences - PNAS, 2015-04, Vol.112 (16), p.5029-5032

2015

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Sequence-, structure-, and dynamics-based comparisons of structurally homologous CheY-like proteins

Proceedings of the National Academy of Sciences - PNAS, 2017-02, Vol.114 (7), p.1578-1583

2017

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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements

Proceedings of the National Academy of Sciences - PNAS, 2014-12, Vol.111 (51), p.18243-18248

2014

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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

Proceedings of the National Academy of Sciences - PNAS, 2013-09, Vol.110 (37), p.14936-14941

2013

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Preventing fibril formation of a protein by selective mutation

Proceedings of the National Academy of Sciences - PNAS, 2015-11, Vol.112 (44), p.13549-13554

2015

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Polyproline II Conformation Is One of Many Local Conformational States and Is Not an Overall Conformation of Unfolded Peptides and Proteins

Proceedings of the National Academy of Sciences - PNAS, 2006-02, Vol.103 (6), p.1744-1749

2006

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Accounting for a mirror-image conformation as a subtle effect in protein folding

Proceedings of the National Academy of Sciences - PNAS, 2014-06, Vol.111 (23), p.8458-8463

2014

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How main-chains of proteins explore the free-energy landscape in native states

Proceedings of the National Academy of Sciences - PNAS, 2008-12, Vol.105 (50), p.19708-19713

2008

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Physics-based method to validate and repair flaws in protein structures

Proceedings of the National Academy of Sciences - PNAS, 2013-10, Vol.110 (42), p.16826-16831

2013

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Nonexponential decay of internal rotational correlation functions of native proteins and self-similar structural fluctuations

Proceedings of the National Academy of Sciences - PNAS, 2010-11, Vol.107 (46), p.19844-19849

2010

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generalized G-SFED continuum solvation free energy calculation model

Proceedings of the National Academy of Sciences - PNAS, 2013-02, Vol.110 (8), p.E662-E667

2013

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Quantum chemical ¹³Cα chemical shift calculations for protein NMR structure determination, refinement, and validation

Proceedings of the National Academy of Sciences - PNAS, 2008-09, Vol.105 (38), p.14389-14394

2008

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Energy-Based de novo Protein Folding by Conformational Space Annealing and an Off-Lattice United-Residue Force Field: Application to the 10-55 Fragment of Staphylococcal Protein A and to Apo Calbindin D9K

Proceedings of the National Academy of Sciences - PNAS, 1999-03, Vol.96 (5), p.2025-2030

1999

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Atomically Detailed Folding Simulation of the B Domain of Staphylococcal Protein A from Random Structures

Proceedings of the National Academy of Sciences - PNAS, 2003-12, Vol.100 (25), p.14812-14816

2003

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Protein Structure Prediction by Global Optimization of a Potential Energy Function

Proceedings of the National Academy of Sciences - PNAS, 1999-05, Vol.96 (10), p.5482-5485

1999

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The structure of protein dynamic space

George Hess: A scientific appreciation

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

Global informatics and physical property selection in protein sequences

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

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

Lysosomal enzyme tripeptidyl peptidase 1 destabilizes fibrillar Aβ by multiple endoproteolytic cleavages within the β-sheet domain

Insufficiently Dehydrated Hydrogen Bonds as Determinants of Protein Interactions

Anomalous diffusion and dynamical correlation between the side chains and the main chain of proteins in their native state

Alternative approach to protein structure prediction based on sequential similarity of physical properties

Sequence-, structure-, and dynamics-based comparisons of structurally homologous CheY-like proteins

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements

Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

Preventing fibril formation of a protein by selective mutation

Polyproline II Conformation Is One of Many Local Conformational States and Is Not an Overall Conformation of Unfolded Peptides and Proteins

Accounting for a mirror-image conformation as a subtle effect in protein folding

How main-chains of proteins explore the free-energy landscape in native states

Physics-based method to validate and repair flaws in protein structures

Nonexponential decay of internal rotational correlation functions of native proteins and self-similar structural fluctuations

generalized G-SFED continuum solvation free energy calculation model

Quantum chemical ¹³Cα chemical shift calculations for protein NMR structure determination, refinement, and validation

Energy-Based de novo Protein Folding by Conformational Space Annealing and an Off-Lattice United-Residue Force Field: Application to the 10-55 Fragment of Staphylococcal Protein A and to Apo Calbindin D9K

Atomically Detailed Folding Simulation of the B Domain of Staphylococcal Protein A from Random Structures

Protein Structure Prediction by Global Optimization of a Potential Energy Function

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