Ab Initio Study of Hydrogen-Bond Formation between Aliphatic and Phenolic Hydroxy Groups and Selected Amino Acid Side Chains

Peter I. Nagy; Paul W. Erhardt

doi:10.1021/jp7108847

Ab Initio Study of Hydrogen-Bond Formation between Aliphatic and Phenolic Hydroxy Groups and Selected Amino Acid Side Chains

The Journal of Physical Chemistry A ◽

10.1021/jp7108847 ◽

2008 ◽

Vol 112 (18) ◽

pp. 4342-4354 ◽

Cited By ~ 14

Author(s):

Peter I. Nagy ◽

Paul W. Erhardt

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Ab Initio ◽

Bond Formation ◽

Side Chains ◽

Ab Initio Study ◽

Hydrogen Bond Formation ◽

Amino Acid Side Chains ◽

Hydroxy Groups ◽

Phenolic Hydroxy

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Ab Initio Study of Hydrogen-Bond Formation between Cyclic Ethers and Selected Amino Acid Side Chains

The Journal of Physical Chemistry A ◽

10.1021/jp061113t ◽

2006 ◽

Vol 110 (51) ◽

pp. 13923-13932 ◽

Cited By ~ 9

Author(s):

Peter I. Nagy ◽

Paul W. Erhardt

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Ab Initio ◽

Bond Formation ◽

Cyclic Ethers ◽

Side Chains ◽

Ab Initio Study ◽

Hydrogen Bond Formation ◽

Amino Acid Side Chains

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Ab initio study of the basicity and propensity of siloxanols towards hydrogen bond formation

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(97)00374-4 ◽

1997 ◽

Vol 545-546 ◽

pp. 483-493 ◽

Cited By ~ 18

Author(s):

Marek Cypryk

Keyword(s):

Hydrogen Bond ◽

Ab Initio ◽

Bond Formation ◽

Ab Initio Study ◽

Hydrogen Bond Formation

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Modeling amino acid side chains. 1. Determination of net atomic charges from ab initio self-consistent-field molecular electrostatic properties

The Journal of Physical Chemistry ◽

10.1021/j100204a034 ◽

1992 ◽

Vol 96 (25) ◽

pp. 10276-10284 ◽

Cited By ~ 74

Author(s):

Christophe Chipot ◽

Bernard Maigret ◽

Jean Louis Rivail ◽

Harold A. Scheraga

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Atomic Charges ◽

Side Chains ◽

Electrostatic Properties ◽

Consistent Field ◽

Self Consistent ◽

Amino Acid Side Chains ◽

Self Consistent Field

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IRRAS Studies on Chain Orientation in the Monolayers of Amino Acid Amphiphiles at the Air−Water Interface Depending on Metal Complex and Hydrogen Bond Formation with the Headgroups

The Journal of Physical Chemistry B ◽

10.1021/jp0441700 ◽

2005 ◽

Vol 109 (15) ◽

pp. 7428-7434 ◽

Cited By ~ 22

Author(s):

Xuezhong Du ◽

Wangen Miao ◽

Yingqiu Liang

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Metal Complex ◽

Bond Formation ◽

Water Interface ◽

Hydrogen Bond Formation ◽

Chain Orientation ◽

Air Water Interface

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Geometrical consequences of fluorination and intermolecular hydrogen bond formation in fluoroformic acid and trifluoroacetic acid dimers from ab initio MO calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04846-4 ◽

1997 ◽

Vol 393 (1-3) ◽

pp. 111-119 ◽

Cited By ~ 13

Author(s):

Gergely Szász ◽

Konstantin B. Borisenko ◽

István Hargittai

Keyword(s):

Hydrogen Bond ◽

Ab Initio ◽

Trifluoroacetic Acid ◽

Bond Formation ◽

Intermolecular Hydrogen Bond ◽

Mo Calculations ◽

Hydrogen Bond Formation ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

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Ab initio studies of hydrogen bond formation in methyl cyanide or methyl isocyanide and methanol systems

International Journal of Quantum Chemistry ◽

10.1002/qua.560240305 ◽

1983 ◽

Vol 24 (3) ◽

pp. 317-325 ◽

Cited By ~ 11

Author(s):

Ting-Hua Tang ◽

Xiao-Yuan Fu

Keyword(s):

Hydrogen Bond ◽

Ab Initio ◽

Bond Formation ◽

Hydrogen Bond Formation ◽

Methyl Cyanide ◽

Methyl Isocyanide

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Geometrical consequences of resonance-assisted intramolecular hydrogen-bond formation from Ab initio MO calculations on 2-nitroresorcinol

Structural Chemistry ◽

10.1007/bf02281221 ◽

1994 ◽

Vol 5 (5) ◽

pp. 307-312 ◽

Cited By ~ 27

Author(s):

Charles W. Bock ◽

István Hargittai

Keyword(s):

Hydrogen Bond ◽

Ab Initio ◽

Intramolecular Hydrogen Bond ◽

Bond Formation ◽

Mo Calculations ◽

Hydrogen Bond Formation ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo ◽

Intramolecular Hydrogen

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A dibenzofuran-based amino acid designed to nucleate antiparallel .beta.-sheet structure: evidence for intramolecular hydrogen-bond formation

Journal of the American Chemical Society ◽

10.1021/ja00047a068 ◽

1992 ◽

Vol 114 (21) ◽

pp. 8316-8318 ◽

Cited By ~ 59

Author(s):

Humberto Diaz ◽

Jose R. Espina ◽

Jeffrey W. Kelly

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Intramolecular Hydrogen Bond ◽

Bond Formation ◽

Beta Sheet ◽

Hydrogen Bond Formation ◽

Beta Sheet Structure ◽

Sheet Structure ◽

Intramolecular Hydrogen

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Geometrical consequences of intermolecular hydrogen bond formation in the formic acid and acetic acid dimers from ab initio MO calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03918-b ◽

1995 ◽

Vol 332 (1-2) ◽

pp. 161-169 ◽

Cited By ~ 24

Author(s):

Konstantin B. Borisenko ◽

Charles W. Bock ◽

István Hargittai

Keyword(s):

Hydrogen Bond ◽

Acetic Acid ◽

Formic Acid ◽

Ab Initio ◽

Bond Formation ◽

Intermolecular Hydrogen Bond ◽

Mo Calculations ◽

Hydrogen Bond Formation ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

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Hydrogen Bond Switching among Flavin and Amino Acid Side Chains in the BLUF Photoreceptor Observed by Ultrafast Infrared Spectroscopy

Biophysical Journal ◽

10.1529/biophysj.108.139246 ◽

2008 ◽

Vol 95 (10) ◽

pp. 4790-4802 ◽

Cited By ~ 74

Author(s):

Cosimo Bonetti ◽

Tilo Mathes ◽

Ivo H.M. van Stokkum ◽

Katharine M. Mullen ◽

Marie-Louise Groot ◽

...

Keyword(s):

Hydrogen Bond ◽

Infrared Spectroscopy ◽

Amino Acid ◽

Side Chains ◽

Amino Acid Side Chains ◽

Ultrafast Infrared

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