Electrostatic Polarization Is Crucial for Reproducing pKa Shifts of Carboxylic Residues in Turkey Ovomucoid Third Domain

Christopher M. MacDermaid; George A. Kaminski

doi:10.1021/jp071284d

Electrostatic Polarization Is Crucial for Reproducing pKa Shifts of Carboxylic Residues in Turkey Ovomucoid Third Domain

The Journal of Physical Chemistry B ◽

10.1021/jp071284d ◽

2007 ◽

Vol 111 (30) ◽

pp. 9036-9044 ◽

Cited By ~ 23

Author(s):

Christopher M. MacDermaid ◽

George A. Kaminski

Keyword(s):

Ovomucoid Third Domain ◽

Pka Shifts ◽

Electrostatic Polarization

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A Langevin continuum model for electrostatic polarization of solvent: calculations of solvation energies of ions and molecules

Russian Chemical Bulletin ◽

10.1007/bf02495280 ◽

1999 ◽

Vol 48 (7) ◽

pp. 1219-1224

Author(s):

V. B. Luzhkov

Keyword(s):

Continuum Model ◽

Solvation Energies ◽

Electrostatic Polarization

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Effect of single amino acid replacements on the thermodynamics of the reactive site peptide bond hydrolysis in ovomucoid third domain

Journal of Molecular Biology ◽

10.1016/0022-2836(91)90370-l ◽

1991 ◽

Vol 220 (4) ◽

pp. 1041-1053 ◽

Cited By ~ 36

Author(s):

Wojciech Ardelt ◽

Michael Laskowski

Keyword(s):

Amino Acid ◽

Peptide Bond ◽

Single Amino Acid ◽

Reactive Site ◽

Ovomucoid Third Domain

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Contrasting pKa Shifts in Cucurbit[7]uril Host–Guest Complexes Governed by an Interplay of Hydrophobic Effects and Electrostatic Interactions

ACS Omega ◽

10.1021/acsomega.6b00427 ◽

2017 ◽

Vol 2 (1) ◽

pp. 70-75 ◽

Cited By ~ 16

Author(s):

Nuno Basílio ◽

Sandra Gago ◽

A. Jorge Parola ◽

Fernando Pina

Keyword(s):

Electrostatic Interactions ◽

Hydrophobic Effects ◽

Pka Shifts

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Crystal and molecular structures of the complex of α-chymotrypsin with its inhibitor Turkey ovomucoid third domain at 1.8 Å resolution

Journal of Molecular Biology ◽

10.1016/0022-2836(87)90659-0 ◽

1987 ◽

Vol 195 (2) ◽

pp. 397-418 ◽

Cited By ~ 178

Author(s):

Masao Fujinaga ◽

Anita R. Sielecki ◽

Randy J. Read ◽

Wojciech Ardelt ◽

Michael Laskowski ◽

...

Keyword(s):

Molecular Structures ◽

Crystal And Molecular Structures ◽

Ovomucoid Third Domain

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Histidine pKa shifts accompanying the inactivating Asp121----Asn substitution in a semisynthetic bovine pancreatic ribonuclease.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.88.18.8116 ◽

1991 ◽

Vol 88 (18) ◽

pp. 8116-8120 ◽

Cited By ~ 21

Author(s):

M. T. Cederholm ◽

J. A. Stuckey ◽

M. S. Doscher ◽

L. Lee

Keyword(s):

Pancreatic Ribonuclease ◽

Pka Shifts

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Accurate Intraprotein Electrostatics Derived from First Principles: An Effective Fragment Potential Method Study of the Proton Affinities of Lysine 55 and Tyrosine 20 in Turkey Ovomucoid Third Domain

The Journal of Physical Chemistry A ◽

10.1021/jp0032659 ◽

2001 ◽

Vol 105 (15) ◽

pp. 3829-3837 ◽

Cited By ~ 29

Author(s):

Ryan M. Minikis ◽

Visvaldas Kairys ◽

Jan H. Jensen

Keyword(s):

First Principles ◽

Potential Method ◽

Proton Affinities ◽

Effective Fragment Potential ◽

Ovomucoid Third Domain

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Electrostatic Polarization Process Control: A Case Study on Electret Condenser Microphone Production Line

Journal of the Audio Engineering Society ◽

10.17743/jaes.2017.0002 ◽

2017 ◽

Vol 65 (4) ◽

pp. 321-332

Author(s):

S. J. Pawar ◽

Yang-Dane Jong ◽

Hong Ching Her ◽

Jin H. Huang

Keyword(s):

Process Control ◽

Production Line ◽

Polarization Process ◽

Condenser Microphone ◽

Electrostatic Polarization

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Quantum chemical study of pKa shifts of the chromophore of photoactive yellow protein

Seibutsu Butsuri ◽

10.2142/biophys.40.s39_1 ◽

2000 ◽

Vol 40 (supplement) ◽

pp. S39

Author(s):

M. Sakurai ◽

M. Yoda ◽

Y. Inoue

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Photoactive Yellow Protein ◽

Pka Shifts

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Computational Study on the pKa Shifts in Proline Induced by Hydrogen-Bond-Donating Cocatalysts

The Journal of Organic Chemistry ◽

10.1021/jo402605n ◽

2014 ◽

Vol 79 (3) ◽

pp. 1166-1173 ◽

Cited By ~ 23

Author(s):

Xiao-Song Xue ◽

Chen Yang ◽

Xin Li ◽

Jin-Pei Cheng

Keyword(s):

Hydrogen Bond ◽

Computational Study ◽

Pka Shifts

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Core level energy differences between the surface and bulk of organic semiconductor films: The effect of electrostatic polarization energy

Synthetic Metals ◽

10.1016/j.synthmet.2011.09.015 ◽

2012 ◽

Vol 161 (23-24) ◽

pp. 2549-2553 ◽

Cited By ~ 5

Author(s):

Hiroyuki Yoshida ◽

Eisuke Ito ◽

Masahiko Hara ◽

Naoki Sato

Keyword(s):

Organic Semiconductor ◽

Core Level ◽

Level Energy ◽

Semiconductor Films ◽

Polarization Energy ◽

Electrostatic Polarization

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