Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation

Yuan Feng; Jing Huang; Seongheun Kim; Ji Hyun Shim; Alexander D. MacKerell; Nien-Hui Ge

doi:10.1021/acs.jpcb.6b02608

Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b02608 ◽

2016 ◽

Vol 120 (24) ◽

pp. 5325-5339 ◽

Cited By ~ 11

Author(s):

Yuan Feng ◽

Jing Huang ◽

Seongheun Kim ◽

Ji Hyun Shim ◽

Alexander D. MacKerell ◽

...

Keyword(s):

Molecular Dynamics ◽

Infrared Spectroscopy ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Two Dimensional ◽

Two Dimensional Infrared Spectroscopy

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Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation Studies of Nonaqueous Lithium Ion Battery Electrolytes

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b02026 ◽

2019 ◽

Vol 123 (31) ◽

pp. 6651-6663 ◽

Cited By ~ 11

Author(s):

Joonhyung Lim ◽

Kyung-Koo Lee ◽

Chungwen Liang ◽

Kwang-Hee Park ◽

Minjoo Kim ◽

...

Keyword(s):

Molecular Dynamics ◽

Infrared Spectroscopy ◽

Molecular Dynamics Simulation ◽

Lithium Ion Battery ◽

Lithium Ion ◽

Dynamics Simulation ◽

Two Dimensional ◽

Simulation Studies ◽

Two Dimensional Infrared Spectroscopy

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Molecular-dynamics simulation of avalanche in adhesion in a two-dimensional solid

Physical Review B ◽

10.1103/physrevb.45.13733 ◽

1992 ◽

Vol 45 (23) ◽

pp. 13733-13736 ◽

Cited By ~ 7

Author(s):

Mark Lupkowski ◽

John F. Maguire

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Two Dimensional

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Nanovoids in uniaxially elongated polymer network filled with polydisperse nanoparticles via coarse-grained molecular dynamics simulation and two-dimensional scattering patterns

Polymer ◽

10.1016/j.polymer.2019.04.040 ◽

2019 ◽

Vol 174 ◽

pp. 218-233

Author(s):

Katsumi Hagita

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer Network ◽

Dynamics Simulation ◽

Coarse Grained ◽

Two Dimensional ◽

Coarse Grained Molecular Dynamics

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Two Dimensional Scattering Patterns Analysis of Coarse Grained Molecular Dynamics Simulation on Filled Composites of end Modified SBR

International Polymer Science and Technology ◽

10.1177/0307174x1704400307 ◽

2017 ◽

Vol 44 (3) ◽

pp. 35-40 ◽

Cited By ~ 1

Author(s):

K. Hagita ◽

T. Tominaga ◽

T. Hatazoe ◽

T Sone ◽

H. Morita ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Coarse Grained ◽

Two Dimensional ◽

Coarse Grained Molecular Dynamics

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The Study of the Dynamical Heterogeneity in the β-Relaxation Time Regime: The Two-Dimensional Molecular Dynamics Simulation with Soft-Sphere Particles

Progress of Theoretical Physics Supplement ◽

10.1143/ptps.178.133 ◽

2009 ◽

Vol 178 ◽

pp. 133-140 ◽

Cited By ~ 1

Author(s):

Tadashi Muranaka ◽

Jun Matsui ◽

Yasuaki Hiwatari

Keyword(s):

Molecular Dynamics ◽

Relaxation Time ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Two Dimensional ◽

Dynamical Heterogeneity ◽

Soft Sphere ◽

Time Regime ◽

Β Relaxation

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Molecular Dynamics Simulation Study of Two-Dimensional Diffusion Behavior in Smectic Liquid Crystalline Monolayers

Journal of the Physical Society of Japan ◽

10.7566/jpsj.82.084603 ◽

2013 ◽

Vol 82 (8) ◽

pp. 084603 ◽

Cited By ~ 3

Author(s):

Go Watanabe ◽

Jun-ichi Saito ◽

Yusuke Fujita ◽

Yuka Tabe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Crystalline ◽

Dynamics Simulation ◽

Two Dimensional ◽

Diffusion Behavior ◽

Dimensional Diffusion

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A two‐dimensional molecular dynamics simulation of thin film growth by oblique deposition

Journal of Applied Physics ◽

10.1063/1.363621 ◽

1996 ◽

Vol 80 (10) ◽

pp. 5682-5690 ◽

Cited By ~ 92

Author(s):

Liang Dong ◽

Richard W. Smith ◽

David J. Srolovitz

Keyword(s):

Thin Film ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Film Growth ◽

Thin Film Growth ◽

Dynamics Simulation ◽

Two Dimensional ◽

Oblique Deposition

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Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76] MIR analogue: A molecular dynamics simulation from two-dimensional NMR data

Biopolymers ◽

10.1002/(sici)1097-0282(1996)40:5<419::aid-bip1>3.0.co;2-z ◽

1996 ◽

Vol 40 (5) ◽

pp. 419-432 ◽

Cited By ~ 15

Author(s):

Piotr Orlewski ◽

Michel Marraud ◽

Manh-Thong Cung ◽

Vassilios Tsikaris ◽

Maria Sakarellos-Daitsiotis ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Dynamics Simulation ◽

Two Dimensional ◽

Nicotinic Acetylcholine ◽

Nmr Data ◽

Immunogenic Region

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Investigation of Water Structure in Nafion Membranes by Infrared Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp806761h ◽

2009 ◽

Vol 113 (3) ◽

pp. 632-639 ◽

Cited By ~ 57

Author(s):

Detlef W. M. Hofmann ◽

Liudmila Kuleshova ◽

Bruno D’Aguanno ◽

Vito Di Noto ◽

Enrico Negro ◽

...

Keyword(s):

Molecular Dynamics ◽

Infrared Spectroscopy ◽

Molecular Dynamics Simulation ◽

Water Structure ◽

Dynamics Simulation ◽

Nafion Membranes

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The molecular dynamics simulation of the effect of channel width on twodimensional granular flow

Acta Physica Sinica ◽

10.7498/aps.53.4277 ◽

2004 ◽

Vol 53 (12) ◽

pp. 4277

Author(s):

Hu Guo-Qi ◽

Zhang Xun-Sheng ◽

Bao De-Song ◽

Tang Xiao-Wei

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Granular Flow ◽

Channel Width ◽

Dynamics Simulation ◽

Two Dimensional

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