Theoretical study of the role of low-barrier hydrogen bonds in enzyme catalysis: a model of proton transfer in serine protease

Yongho Kim; Kwang-Hyun Ahn

doi:10.1007/s002140100258

Theoretical study of the role of low-barrier hydrogen bonds in enzyme catalysis: a model of proton transfer in serine protease

Theoretical Chemistry Accounts ◽

10.1007/s002140100258 ◽

2001 ◽

Vol 106 (3) ◽

pp. 171-177 ◽

Cited By ~ 6

Author(s):

Yongho Kim ◽

Kwang-Hyun Ahn

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Serine Protease ◽

Enzyme Catalysis ◽

Theoretical Study ◽

Low Barrier Hydrogen Bonds

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A Simple Method for Determining the Relative Strengths of Normal and Low-Barrier Hydrogen Bonds in Solution: Implications to Enzyme Catalysis

Journal of the American Chemical Society ◽

10.1021/ja00153a011 ◽

1995 ◽

Vol 117 (48) ◽

pp. 11902-11905 ◽

Cited By ~ 34

Author(s):

Benjamin Schwartz ◽

Dale G. Drueckhammer

Keyword(s):

Hydrogen Bonds ◽

Enzyme Catalysis ◽

Simple Method ◽

Low Barrier Hydrogen Bonds

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Response : On Low-Barrier Hydrogen Bonds and Enzyme Catalysis

Science ◽

10.1126/science.269.5220.104-b ◽

1995 ◽

Vol 269 (5220) ◽

pp. 104-106

Author(s):

Perry A. Frey

Keyword(s):

Hydrogen Bonds ◽

Enzyme Catalysis ◽

Low Barrier Hydrogen Bonds

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1H NMR studies of proton transfer equilibria in hydrogen bonds the role of the entropy

Canadian Journal of Chemistry ◽

10.1139/cjc-79-9-1376 ◽

2001 ◽

Vol 79 (9) ◽

pp. 1376-1380 ◽

Cited By ~ 1

Author(s):

Roland Langner ◽

Georg Zundel

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Nmr Studies ◽

H Nmr

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On low-barrier hydrogen bonds and enzyme catalysis

Science ◽

10.1126/science.7661987 ◽

1995 ◽

Vol 269 (5220) ◽

pp. 102-106 ◽

Cited By ~ 204

Author(s):

A Warshel ◽

A Papazyan ◽

P. Kollman

Keyword(s):

Hydrogen Bonds ◽

Enzyme Catalysis ◽

Low Barrier Hydrogen Bonds

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Self-Consistent Reaction Field Calculations of Nonequilibrium Solvent Effects on Proton Transfer Processes through Low-Barrier Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp983288b ◽

1998 ◽

Vol 102 (52) ◽

pp. 10728-10735 ◽

Cited By ~ 8

Author(s):

M. F. Ruiz-López ◽

A. Oliva ◽

I. Tuñón ◽

J. Bertrán

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Solvent Effects ◽

Reaction Field ◽

Transfer Processes ◽

Self Consistent ◽

Low Barrier Hydrogen Bonds

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Theoretical Study of Structure, Energetic, Hydrogen Bonds Strength and Intramolecular Proton Transfer of 2-(2-R (ROH, NH2, SH) Phenyl (or Pyridyl)) Benzoxazoles (or Benzothiazoles)

Chinese Journal of Chemistry ◽

10.1002/cjoc.201190136 ◽

2011 ◽

Vol 29 (4) ◽

pp. 650-654 ◽

Cited By ~ 3

Author(s):

Pinggui Yi ◽

Hongliang Peng ◽

Zhaoxu Wang ◽

Xianyong Yu ◽

Xiaofang Li ◽

...

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Theoretical Study ◽

Intramolecular Proton Transfer

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The crucial role of water in shaping low-barrier hydrogen bonds

Physical Chemistry Chemical Physics ◽

10.1039/c5cp07760e ◽

2016 ◽

Vol 18 (7) ◽

pp. 5521-5528 ◽

Cited By ~ 6

Author(s):

Michael T. Ruggiero ◽

Timothy M. Korter

Keyword(s):

Hydrogen Bonds ◽

Crucial Role ◽

Chemical Processes ◽

Catalytic Applications ◽

Low Barrier Hydrogen Bonds

Low-barrier hydrogen bonds (LBHBs) are key components in a range of chemical processes, often appearing in metal-mediated catalytic applications.

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The Nature of Solid-State N−H···O/O−H···N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ···OC−CN−NH··· ⇄ ···HO−CC−NN··· Ketohydrazone−Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study

Journal of the American Chemical Society ◽

10.1021/ja020589x ◽

2002 ◽

Vol 124 (45) ◽

pp. 13554-13567 ◽

Cited By ~ 178

Author(s):

Paola Gilli ◽

Valerio Bertolasi ◽

Loretta Pretto ◽

Antonín Lyčka ◽

Gastone Gilli

Keyword(s):

Solid State ◽

Hydrogen Bonds ◽

Proton Transfer ◽

Computational Study ◽

Variable Temperature ◽

Intramolecular Proton Transfer ◽

X Ray ◽

System A ◽

Resonant Systems ◽

Low Barrier Hydrogen Bonds

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Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

The Journal of Chemical Physics ◽

10.1063/1.4905495 ◽

2015 ◽

Vol 142 (4) ◽

pp. 044701 ◽

Cited By ~ 14

Author(s):

Arindam Bankura ◽

Amalendu Chandra

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Ab Initio ◽

Theoretical Study ◽

Two Dimensional ◽

Water Layers

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Theoretical study of the role of hydrogen bonding and proton transfer in oxygen reduction by semiquinones

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)05010-5 ◽

1997 ◽

Vol 398-399 ◽

pp. 445-449 ◽

Cited By ~ 4

Author(s):

Adam Liwo ◽

Danuta Jeziorek ◽

Dariusz Dyl ◽

Tadeusz Ossowski ◽

Lech Chmurzyński

Keyword(s):

Hydrogen Bonding ◽

Proton Transfer ◽

Oxygen Reduction ◽

Theoretical Study

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Theoretical study of the role of low-barrier hydrogen bonds in enzyme catalysis: a model of proton transfer in serine protease

A Simple Method for Determining the Relative Strengths of Normal and Low-Barrier Hydrogen Bonds in Solution: Implications to Enzyme Catalysis

Response : On Low-Barrier Hydrogen Bonds and Enzyme Catalysis

1H NMR studies of proton transfer equilibria in hydrogen bonds  the role of the entropy

On low-barrier hydrogen bonds and enzyme catalysis

Self-Consistent Reaction Field Calculations of Nonequilibrium Solvent Effects on Proton Transfer Processes through Low-Barrier Hydrogen Bonds

Theoretical Study of Structure, Energetic, Hydrogen Bonds Strength and Intramolecular Proton Transfer of 2-(2-R (ROH, NH2, SH) Phenyl (or Pyridyl)) Benzoxazoles (or Benzothiazoles)

The crucial role of water in shaping low-barrier hydrogen bonds

Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

Theoretical study of the role of hydrogen bonding and proton transfer in oxygen reduction by semiquinones

1H NMR studies of proton transfer equilibria in hydrogen bonds the role of the entropy