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Amide isomerization pathways: Electronic and structural background of protonation- and deprotonation-mediated cis-trans interconversions

The Journal of chemical physics, 2023-10, Vol.159 (15)

2023

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Off-pathway 3D-structure provides protection against spontaneous Asn/Asp isomerization: shielding proteins Achilles heel

Quarterly reviews of biophysics, 2020-01, Vol.53, p.e2-e2, Article e2

2020

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Predictable Conformational Diversity in Foldamers of Sugar Amino Acids

Journal of chemical information and modeling, 2017-04, Vol.57 (4), p.757-768

2017

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Back Cover: Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness (Chem. Eur. J. 39/2016)

Chemistry : a European journal, 2016-09, Vol.22 (39), p.14068-14068

2016

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Four faces of the interaction between ions and aromatic rings

Journal of computational chemistry, 2017-07, Vol.38 (20), p.1762-1773

2017

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Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness

Chemistry : a European journal, 2016-09, Vol.22 (39), p.13871-13883

2016

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Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology

The journal of physical chemistry. B, 2013-10, Vol.117 (41), p.12402-12409

2013

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Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface

Chemical physics letters, 2012-09, Vol.547, p.82-88

2012

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A theoretical study of the stability of disulfide bridges in various β-sheet structures of protein segment models

Chemical physics letters, 2014-02, Vol.593, p.48-54

2014

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Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions

Chemical physics letters, 2013-03, Vol.563, p.80-87

2013

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The inherent flexibility of peptides and protein fragments quantitized by CD in conjunction with CCA+

Journal of peptide science, 2009-11, Vol.15 (11), p.738-752

2009

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Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad

Chemical science (Cambridge), 2022-06, Vol.13 (24), p.7132-7142

2022

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A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase-meropenem complex

Chemical science (Cambridge), 2022-12, Vol.13 (48), p.14264-14276

2022

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Parameter-free linear relationship (PFLR) and its application to 3D QSAR

Journal of mathematical chemistry, 2009-03, Vol.45 (3), p.598-606

2009

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Hydrogen-Bonding Network Anchors the Cyclic Form of Sugar Arylhydrazones

European journal of organic chemistry, 2016-07, Vol.2016 (20), p.3419-3426

2016

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Impairment of a model peptide by oxidative stress: Thermodynamic stabilities of asparagine diamide Cα-radical foldamers

Chemical physics letters, 2014-02, Vol.593, p.104-108

2014

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The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (4), p.1507-1516

2012

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Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

Journal of computational chemistry, 2003-07, Vol.24 (9), p.1026-1042

2003

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Intrinsically Stable Secondary Structure Elements of Proteins: A Comprehensive Study of Folding Units of Proteins by Computation and by Analysis of Data Determined by X-ray Crystallography

Chemistry : a European journal, 2003-11, Vol.9 (21), p.5332-5342

2003

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Relative Stability of Major Types of β-Turns as a Function of Amino Acid Composition: A Study Based on Ab Initio Energetic and Natural Abundance Data

Chemistry : a European journal, 2003-06, Vol.9 (11), p.2551-2566

2003

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Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamide

Journal of computational chemistry, 2001-05, Vol.22 (7), p.732-751

2001

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Atropisomerism of the Asn a Radicals Revealed by Ramachandran Surface Topology

The journal of physical chemistry. B, 2013, Vol.117 (41), p.12402-12409

2013

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Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2

Journal of computational chemistry, 2000-06, Vol.21 (8), p.626-655

2000

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A search for the ideal type I β-turn

Biopolymers, 1996-06, Vol.38 (6), p.723-732

1996

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Peptide models XXII. A conformational model for aromatic amino acid residues in proteins. A comprehensive analysis of all the RHF/6–31+G conformers of For-L-Phe–NH2

Journal of molecular structure. Theochem, 1998-12, Vol.455 (2-3), p.303-314

1998

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Amide isomerization pathways: Electronic and structural background of protonation- and deprotonation-mediated cis-trans interconversions

Off-pathway 3D-structure provides protection against spontaneous Asn/Asp isomerization: shielding proteins Achilles heel

Predictable Conformational Diversity in Foldamers of Sugar Amino Acids

Back Cover: Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness (Chem. Eur. J. 39/2016)

Four faces of the interaction between ions and aromatic rings

Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness

Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology

Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface

A theoretical study of the stability of disulfide bridges in various β-sheet structures of protein segment models

Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions

The inherent flexibility of peptides and protein fragments quantitized by CD in conjunction with CCA+

Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad

A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase-meropenem complex

Parameter-free linear relationship (PFLR) and its application to 3D QSAR

Hydrogen-Bonding Network Anchors the Cyclic Form of Sugar Arylhydrazones

Impairment of a model peptide by oxidative stress: Thermodynamic stabilities of asparagine diamide Cα-radical foldamers

The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization

Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

Intrinsically Stable Secondary Structure Elements of Proteins: A Comprehensive Study of Folding Units of Proteins by Computation and by Analysis of Data Determined by X-ray Crystallography

Relative Stability of Major Types of β-Turns as a Function of Amino Acid Composition: A Study Based on Ab Initio Energetic and Natural Abundance Data

Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamide

Atropisomerism of the Asn a Radicals Revealed by Ramachandran Surface Topology

Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2

A search for the ideal type I β-turn

Peptide models XXII. A conformational model for aromatic amino acid residues in proteins. A comprehensive analysis of all the RHF/6–31+G conformers of For-L-Phe–NH2

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