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1

Transition Metal Ion Interactions with Disordered Amyloid-β Peptides in the Pathogenesis of Alzheimer´s Disease: Insights from Computational Chemistry Studies

Strodel, Birgit, Coskuner, Orkid

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 1.71 MB

english, 2019

2

The Structures of the E22Δ Mutant-Type Amyloid-β Alloforms and the Impact of E22Δ Mutation on the Structures of the Wild-Type Amyloid-β Alloforms

Coskuner, Orkid, Wise-Scira, Olivia, Perry, George, Kitahara, Taizo

Journal:

ACS Chemical Neuroscience

Year:

2013

Language:

english

File:

PDF, 1.71 MB

english, 2013

3

How Accurate Are Your Simulations? Effects of Confined Aqueous Volume and AMBERFF09SB and CHARMM22/CMAP Force Field Parameters on Structural Ensembles of Intrinsically Disordered Proteins: Amyloid-β 42 in Water

Weber, Orkid Coskuner, Uversky, Vladimir N.

Journal:

Intrinsically Disordered Proteins

Year:

2017

Language:

english

File:

PDF, 3.15 MB

english, 2017

4

Coordination Studies of Al-EDTA in Aqueous Solution

Coskuner, Orkid, Jarvis, Emily A. A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 114 KB

english, 2008

5

Preferred conformation of the glycosidic linkage of methyl-β-mannose

Coskuner, Orkid

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 542 KB

english, 2007

6

Structures and Free Energy Landscapes of the Wild-Type and A30P Mutant-Type α-Synuclein Proteins with Dynamics

Wise-Scira, Olivia, Aloglu, Ahmet Kemal, Dunn, Aquila, Sakallioglu, Isin Tuna, Coskuner, Orkid

Journal:

ACS Chemical Neuroscience

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

7

Amyloid-β peptide structure in aqueous solution varies with fragment size

Wise-Scira, Olivia, Xu, Liang, Kitahara, Taizo, Perry, George, Coskuner, Orkid

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.54 MB

english, 2011

8

Single Ion and Dimerization Studies of the Al(III) Ion in Aqueous Solution

Coskuner, Orkid

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 4.24 MB

english, 2010

9

Insights into the Molecular Mechanisms of Alzheimer’s and Parkinson’s Diseases with Molecular Simulations: Understanding the Roles of Artificial and Pathological Missense Mutations in Intrinsically Disordered Proteins Related to Pathology

Coskuner-Weber, Orkid, Uversky, Vladimir

Journal:

International Journal of Molecular Sciences

Year:

2018

Language:

english

File:

PDF, 8.33 MB

english, 2018

10

Ligand Exchange Reactions in the Formation of Diphosphine-Protected Gold Clusters

Bergeron, Denis E., Coskuner, Orkid, Hudgens, Jeffrey W., Gonzalez, Carlos A.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

11

New force field parameters for metalloproteins I: Divalent copper ion centers including three histidine residues and an oxygen-ligated amino acid residue

Wise, Olivia, Coskuner, Orkid

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 589 KB

english, 2014

12

Divalent copper ion bound amyloid-β(40) and amyloid-β(42) alloforms are less preferred than divalent zinc ion bound amyloid-β(40) and amyloid-β(42) alloforms

Coskuner, Orkid

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 3.52 MB

english, 2016

13

Structures and Free Energy Landscapes of the A53T Mutant-Type α-Synuclein Protein and Impact of A53T Mutation on the Structures of the Wild-Type α-Synuclein Protein with Dynamics

Coskuner, Orkid, Wise-Scira, Olivia

Journal:

ACS Chemical Neuroscience

Year:

2013

Language:

english

File:

PDF, 2.44 MB

english, 2013

14

Identification of Active Sites of Biomolecules. 1. Methyl-α-mannopyranoside and Fe III

Coskuner, Orkid, Bergeron, Denis E., Rincon, Luis, Hudgens, Jeffrey W., Gonzalez, Carlos A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 157 KB

english, 2008

15

Glycosidic linkage conformation of methyl-α-mannopyranoside

Coskuner, Orkid, Bergeron, Denis E., Rincon, Luis, Hudgens, Jeffrey W., Gonzalez, Carlos A.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 480 KB

english, 2008

16

Water Dissociation in the Presence of Metal Ions

Orkid Coskuner, Emily A. A. Jarvis, Thomas C. Allison

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 352 KB

english, 2007

17

[Progress in Molecular Biology and Translational Science] || Intrinsically disordered proteins in various hypotheses on the pathogenesis of Alzheimer's and Parkinson's diseases

Coskuner, Orkid

Year:

2019

Language:

english

File:

PDF, 3.45 MB

english, 2019

18

Water Dissociation in the Presence of Metal Ions

Orkid Coskuner, Emily A. A. Jarvis, Thomas C. Allison

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 352 KB

english, 2007

19

Arginine and Disordered Amyloid-β Peptide Structures: Molecular Level Insights into the Toxicity in Alzheimer’s Disease

Coskuner, Orkid, Wise-Scira, Olivia

Journal:

ACS Chemical Neuroscience

Year:

2013

Language:

english

File:

PDF, 4.92 MB

english, 2013

20

Identification of Active Sites of Biomolecules II: Saccharide and Transition Metal Ion in Aqueous Solution

Coskuner, Orkid, Bergeron, Denis E., Rincon, Luis, Hudgens, Jeffrey W., Gonzalez, Carlos A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 563 KB

english, 2009

21

Structures of the E46K Mutant-Type α-Synuclein Protein and Impact of E46K Mutation on the Structures of the Wild-Type α-Synuclein Protein

Wise-Scira, Olivia, Dunn, Aquila, Aloglu, Ahmet K., Sakallioglu, Isin T., Coskuner, Orkid

Journal:

ACS Chemical Neuroscience

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

22

BMP-2 and BMP-9 Binding Specificities with ALK-3 in Aqueous Solution with Dynamics

Coskuner, Orkid, Uversky, Vladimir

Journal:

Journal of Molecular Graphics and Modelling

Year:

2017

Language:

english

File:

PDF, 969 KB

english, 2017

23

Hydrophobic Interactions of Xenon by Monte Carlo Simulations

Coskuner, Orkid, Deiters, Ulrich K.

Journal:

Zeitschrift für Physikalische Chemie

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

24

Hydrophobic Interactions by Monte Carlo Simulations

Coskuner, Orkid, Deiters, Ulrich K.

Journal:

Zeitschrift für Physikalische Chemie

Year:

2006

Language:

english

File:

PDF, 351 KB

english, 2006

25

Quantum Chemistry Meets Deep Learning for Complex Carbohydrate and Glycopeptide Species I

Habiboglu, M. Gokhan, Coskuner-Weber, Orkid

Journal:

Zeitschrift für Physikalische Chemie

Year:

2018

Language:

english

File:

PDF, 1.17 MB

english, 2018

26

Dynamic and Structural Properties of Aqueous Arsenic Solutions

Orkid Coskuner, Thomas C. Allison

Journal:

Year:

2009

Language:

english

File:

PDF, 195 KB

english, 2009

27

Alanine Scanning Effects on the Biochemical and Biophysical Properties of Intrinsically Disordered Proteins: A Case Study of the Histidine to Alanine Mutations in Amyloid-β42

Coskuner, Orkid, Uversky, Vladimir N.

Journal:

Journal of Chemical Information and Modeling

Year:

2019

File:

PDF, 1.77 MB

2019

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