Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 1. A Quantum Mechanical Study of Proline, Hydroxyproline, and Fluoroproline Dipeptide Analogues in Aqueous Solution

Roberto Improta; Caterina Benzi; Vincenzo Barone

doi:10.1021/ja010599i

Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 1. A Quantum Mechanical Study of Proline, Hydroxyproline, and Fluoroproline Dipeptide Analogues in Aqueous Solution

Journal of the American Chemical Society ◽

10.1021/ja010599i ◽

2001 ◽

Vol 123 (50) ◽

pp. 12568-12577 ◽

Cited By ~ 91

Author(s):

Roberto Improta ◽

Caterina Benzi ◽

Vincenzo Barone

Keyword(s):

Aqueous Solution ◽

Quantum Mechanical ◽

Stereoelectronic Effects ◽

Mechanical Study ◽

Dipeptide Analogues ◽

Quantum Mechanical Study ◽

Collagen Stability

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Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 2. A Quantum Mechanical/Molecular Mechanical Study of (Proline-Proline-Glycine)nPolypeptides

Journal of the American Chemical Society ◽

10.1021/ja020187p ◽

2002 ◽

Vol 124 (26) ◽

pp. 7857-7865 ◽

Cited By ~ 47

Author(s):

Roberto Improta ◽

Franca Mele ◽

Orlando Crescenzi ◽

Caterina Benzi ◽

Vincenzo Barone

Keyword(s):

Quantum Mechanical ◽

Stereoelectronic Effects ◽

Mechanical Study ◽

Collagen Stability

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Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution

Journal of Computational Chemistry ◽

10.1002/jcc.10015 ◽

2002 ◽

Vol 23 (3) ◽

pp. 341-350 ◽

Cited By ~ 47

Author(s):

Caterina Benzi ◽

Roberto Improta ◽

Giovanni Scalmani ◽

Vincenzo Barone

Keyword(s):

Aqueous Solution ◽

Quantum Mechanical ◽

Conformational Behavior ◽

Mechanical Study ◽

Dipeptide Analogues ◽

Quantum Mechanical Study

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Quantum mechanical study of F(2P12) + H2(j = 0) quenching: The role of virtual ortho—para mixing

Chemical Physics Letters ◽

10.1016/0009-2614(79)80700-9 ◽

1979 ◽

Vol 63 (3) ◽

pp. 503-508 ◽

Cited By ~ 7

Author(s):

Robert E. Wyatt

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00834-x ◽

2001 ◽

Vol 345 (1-2) ◽

pp. 171-178 ◽

Cited By ~ 24

Author(s):

Willian R Rocha ◽

Katia J De Almeida ◽

K Coutinho ◽

Sylvio Canuto

Keyword(s):

Aqueous Solution ◽

Monte Carlo ◽

Electronic Spectrum ◽

Sequential Monte Carlo ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution: A TD-DFT Quantum Mechanical Study

Journal of the American Chemical Society ◽

10.1021/ja0460561 ◽

2004 ◽

Vol 126 (44) ◽

pp. 14320-14321 ◽

Cited By ~ 136

Author(s):

Roberto Improta ◽

Vincenzo Barone

Keyword(s):

Aqueous Solution ◽

Gas Phase ◽

Fluorescence Spectra ◽

Quantum Mechanical ◽

Absorption And Fluorescence Spectra ◽

Mechanical Study ◽

Td Dft ◽

Quantum Mechanical Study

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A quantum mechanical study of the role of out-of-plane vibrations in benzene in the intramolecular redistribution of vibrational energy

The Journal of Chemical Physics ◽

10.1063/1.477954 ◽

1999 ◽

Vol 110 (5) ◽

pp. 2489-2497 ◽

Cited By ~ 4

Author(s):

S. Rashev

Keyword(s):

Vibrational Energy ◽

Quantum Mechanical ◽

Mechanical Study ◽

Out Of Plane ◽

Quantum Mechanical Study

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Quantum-mechanical study of the survival probability in laser-driven molecules: The role of diagonal and off-diagonal disorder

Physical Review A ◽

10.1103/physreva.36.3743 ◽

1987 ◽

Vol 36 (8) ◽

pp. 3743-3750 ◽

Cited By ~ 3

Author(s):

Israel Schek ◽

Nimrod Moiseyev ◽

Robert E. Wyatt

Keyword(s):

Survival Probability ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Diagonal Disorder

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The electronic spectrum of Fe2+ ion in aqueous solution: A sequential Monte Carlo/quantum mechanical study

Chemical Physics Letters ◽

10.1016/j.cplett.2007.10.063 ◽

2007 ◽

Vol 449 (1-3) ◽

pp. 144-148 ◽

Cited By ~ 15

Author(s):

Charles M. Aguilar ◽

Wagner B. De Almeida ◽

Willian R. Rocha

Keyword(s):

Aqueous Solution ◽

Monte Carlo ◽

Electronic Spectrum ◽

Sequential Monte Carlo ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Ethylene polymerization catalyzed by metallocene/methylaluminoxane systems: quantum-mechanical study on the role of olefin separated ion pairs (OSIP) in the polymerization mechanism

Macromolecular Rapid Communications ◽

10.1002/(sici)1521-3927(19980501)19:5<257::aid-marc257>3.0.co;2-c ◽

1998 ◽

Vol 19 (5) ◽

pp. 257-262 ◽

Cited By ~ 29

Author(s):

Roberto Fusco ◽

Luca Longo ◽

Antonio Proto ◽

Francesco Masi ◽

Fabio Garbassi

Keyword(s):

Ethylene Polymerization ◽

Ion Pairs ◽

Quantum Mechanical ◽

Polymerization Mechanism ◽

Mechanical Study ◽

Quantum Mechanical Study

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Interaction of calcium and magnesium ions with malonate and the role of the waters of hydration: a quantum mechanical study

Journal of the American Chemical Society ◽

10.1021/ja00006a004 ◽

1991 ◽

Vol 113 (6) ◽

pp. 1892-1899 ◽

Cited By ~ 12

Author(s):

David W. Deerfield ◽

Douglas J. Fox ◽

Martin Head-Gordon ◽

Richard G. Hiskey ◽

Lee G. Pedersen

Keyword(s):

Quantum Mechanical ◽

Magnesium Ions ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Calcium And Magnesium ◽

Calcium And Magnesium Ions

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