Aluminosilicate Surfaces as Promoters for Peptide Bond Formation: An Assessment of Bernal's Hypothesis by ab Initio Methods

Journal of the American Chemical Society ◽

10.1021/ja070451k ◽

2007 ◽

Vol 129 (26) ◽

pp. 8333-8344 ◽

Author(s):

Albert Rimola ◽

Mariona Sodupe ◽

Piero Ugliengo

Keyword(s):

Ab Initio ◽

Bond Formation ◽

Peptide Bond ◽

Ab Initio Methods ◽

Peptide Bond Formation

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Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia-Glycine reactions

Journal of Computational Chemistry ◽

10.1002/jcc.540040402 ◽

1983 ◽

Vol 4 (4) ◽

pp. 449-460 ◽

Author(s):

Tetsuro Oie ◽

Gilda H. Loew ◽

Stanley K. Burt ◽

Robert D. Macelroy

Keyword(s):

Ab Initio ◽

Bond Formation ◽

Peptide Bond ◽

Ab Initio Study ◽

Peptide Bond Formation ◽

Amide Bond Formation

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Ab initio computational study of electronic structure part-1: reaction mechanism of peptide bond formation between amino acid alanine and glycine

Journal of Physics Conference Series ◽

10.1088/1742-6596/1217/1/012053 ◽

2019 ◽

Vol 1217 ◽

pp. 012053

Author(s):

A Dzikrullah ◽

B Cahyono ◽

M D Laksitorini ◽

P Siahaan

Keyword(s):

Electronic Structure ◽

Reaction Mechanism ◽

Ab Initio ◽

Computational Study ◽

Bond Formation ◽

Peptide Bond ◽

Peptide Bond Formation

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Ab initio computational study of reaction mechanism of peptide bond formation on HF/6-31G(d,p) level

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/172/1/012040 ◽

2017 ◽

Vol 172 ◽

pp. 012040 ◽

Author(s):

P Siahaan ◽

M N T Lalita ◽

B Cahyono ◽

M D Laksitorini ◽

S Z Hildayani

Keyword(s):

Reaction Mechanism ◽

Ab Initio ◽

Computational Study ◽

Bond Formation ◽

Peptide Bond ◽

Peptide Bond Formation

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Ab Initio QM/MM Free Energy Simulations of Peptide Bond Formation in the Ribosome Support an Eight-Membered Ring Reaction Mechanism

Journal of the American Chemical Society ◽

10.1021/ja3076605 ◽

2012 ◽

Vol 134 (39) ◽

pp. 16424-16429 ◽

Author(s):

Jun Xu ◽

John Z. H. Zhang ◽

Yun Xiang

Keyword(s):

Free Energy ◽

Reaction Mechanism ◽

Ab Initio ◽

Bond Formation ◽

Peptide Bond ◽

Membered Ring ◽

Peptide Bond Formation ◽

Energy Simulations

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Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia-formic acid and ammonia-glycine reactions

International Journal of Quantum Chemistry ◽

10.1002/qua.560220722 ◽

2009 ◽

Vol 22 (S9) ◽

pp. 223-245 ◽

Author(s):

Tetsuro Oie ◽

Gilda H. Loew ◽

Stanley K. Burt ◽

J. Stephen Binkley ◽

Robert D. MacElroy

Keyword(s):

Formic Acid ◽

Ab Initio ◽

Bond Formation ◽

Peptide Bond ◽

Ab Initio Study ◽

Peptide Bond Formation ◽

Amide Bond Formation

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Stereoelectronic control in peptide bond formation. Ab initio calculations and speculations on the mechanism of action of serine proteases

Biophysical Journal ◽

10.1016/s0006-3495(84)84073-4 ◽

1984 ◽

Vol 46 (6) ◽

pp. 749-761 ◽

Author(s):

D.G. Gorenstein ◽

K. Taira

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Mechanism Of Action ◽

Serine Proteases ◽

Bond Formation ◽

Peptide Bond ◽

Peptide Bond Formation ◽

Stereoelectronic Control

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Corrigendum to “An ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy”[J. Mol. Struct. (Theochem) 577 (2002) 267–279]

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00173-2 ◽

2002 ◽

Vol 586 (1-3) ◽

pp. 241

Author(s):

Puspitapallab Chaudhuri ◽

Sylvio Canuto

Keyword(s):

Binding Energy ◽

Ab Initio ◽

Electron Correlation ◽

Bond Formation ◽

Peptide Bond ◽

Correlation Effects ◽

Ab Initio Study ◽

Peptide Bond Formation ◽

Electron Correlation Effects

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An ab initio study of the peptide bond formation between alanine and glycine: electron correlation effects on the structure and binding energy

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00673-x ◽

2002 ◽

Vol 577 (2-3) ◽

pp. 267-279 ◽

Author(s):

Puspitapallab Chaudhuri ◽

Sylvio Canuto

Keyword(s):

Binding Energy ◽

Ab Initio ◽

Electron Correlation ◽

Bond Formation ◽

Peptide Bond ◽

Correlation Effects ◽

Ab Initio Study ◽

Peptide Bond Formation ◽

Electron Correlation Effects

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Faculty Opinions recommendation of Important contribution to catalysis of peptide bond formation by a single ionizing group within the ribosome.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1008921.111307 ◽

2002 ◽

Author(s):

Jon Lorsch

Keyword(s):

Bond Formation ◽

Peptide Bond ◽

Peptide Bond Formation

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Faculty Opinions recommendation of Substrate-assisted catalysis of peptide bond formation by the ribosome.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1022150.326474 ◽

2005 ◽

Author(s):

Alfred Wittinghofer

Keyword(s):

Bond Formation ◽

Peptide Bond ◽

Peptide Bond Formation

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