Density Functional Theory Study of β-Hairpins in Antiparallel β-Sheets, a New Classification Based upon H-Bond Topology

Dipankar Roy; Gabor Pohl; Jorge Ali-Torres; Mateusz Marianski; J. J. Dannenberg

doi:10.1021/bi3006785

Density Functional Theory Study of β-Hairpins in Antiparallel β-Sheets, a New Classification Based upon H-Bond Topology

Biochemistry ◽

10.1021/bi3006785 ◽

2012 ◽

Vol 51 (27) ◽

pp. 5387-5393 ◽

Cited By ~ 6

Author(s):

Dipankar Roy ◽

Gabor Pohl ◽

Jorge Ali-Torres ◽

Mateusz Marianski ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

New Classification ◽

Functional Theory ◽

Bond Topology ◽

Β Sheets

Capping Parallel β-Sheets of Acetyl(Ala)6NH2with an Acetyl(Ala)5ProNH2Can Arrest the Growth of the Sheet, Suggesting a Potential for Curtailing Amyloid Growth. An ONIOM and Density Functional Theory Study

Biochemistry ◽

10.1021/bi401366w ◽

2014 ◽

Vol 53 (4) ◽

pp. 617-623 ◽

Cited By ~ 6

Author(s):

Gabor Pohl ◽

Amparo Asensio ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets

Comparison of β-Sheets of Capped Polyalanine with Those of the Tau-Amyloid Structures VQIVYK and VQIINK. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp205388q ◽

2011 ◽

Vol 115 (35) ◽

pp. 10560-10566 ◽

Cited By ~ 17

Author(s):

Joshua A. Plumley ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets ◽

Amyloid Structures

Capping Amyloid β-Sheets of the Tau-Amyloid Structure VQIVYK with Hexapeptides Designed To Arrest Growth. An ONIOM and Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp501890p ◽

2014 ◽

Vol 118 (12) ◽

pp. 3326-3334 ◽

Cited By ~ 5

Author(s):

Joshua A. Plumley ◽

Jorge Ali-Torres ◽

Gabor Pohl ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Amyloid Β ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets ◽

Arrest Growth

Aggregation of Capped Hexaglycine Strands into Hydrogen-Bonding Motifs Representative of Pleated and Rippled β-Sheets, Collagen, and Polyglycine I and II Crystal Structures. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp111501d ◽

2011 ◽

Vol 115 (6) ◽

pp. 1562-1570 ◽

Cited By ~ 12

Author(s):

Joshua A. Plumley ◽

Midas (I-Hsien) Tsai ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets

The Folding of Acetyl(Ala)28NH2 and Acetyl(Ala)40NH2 Extended Strand Peptides into Antiparallel β-Sheets. A Density Functional Theory Study of β-Sheets with β-Turns

The Journal of Physical Chemistry B ◽

10.1021/jp3094947 ◽

2012 ◽

Vol 116 (48) ◽

pp. 14017-14022 ◽

Cited By ~ 9

Author(s):

Jorge Ali-Torres ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory