Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering

Lauren J. Abbott; Amanda G. McDermott; Annalaura Del Regno; Rupert G. D. Taylor; C. Grazia Bezzu; Kadhum J. Msayib; Neil B. McKeown; Flor R. Siperstein; James Runt; Coray M. Colina

doi:10.1021/jp308798u

Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering

The Journal of Physical Chemistry B ◽

10.1021/jp308798u ◽

2012 ◽

Vol 117 (1) ◽

pp. 355-364 ◽

Cited By ~ 44

Author(s):

Lauren J. Abbott ◽

Amanda G. McDermott ◽

Annalaura Del Regno ◽

Rupert G. D. Taylor ◽

C. Grazia Bezzu ◽

...

Keyword(s):

Organic Molecules ◽

Molecular Simulations ◽

X Ray ◽

X Ray Scattering ◽

Intrinsic Microporosity ◽

Ray Scattering

Download Full-text

Modeling conformationally flexible proteins with X-ray scattering and molecular simulations

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s0108767319098945 ◽

2019 ◽

Vol 75 (a1) ◽

pp. a105-a105

Author(s):

Melissa S. Gildenberg ◽

M. Todd Washington

Keyword(s):

Molecular Simulations ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

Modeling Conformationally Flexible Proteins With X-ray Scattering and Molecular Simulations

Computational and Structural Biotechnology Journal ◽

10.1016/j.csbj.2019.04.011 ◽

2019 ◽

Vol 17 ◽

pp. 570-578 ◽

Cited By ~ 2

Author(s):

Kyle T. Powers ◽

Melissa S. Gildenberg ◽

M. Todd Washington

Keyword(s):

Molecular Simulations ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations

The Journal of Chemical Physics ◽

10.1063/1.3684988 ◽

2012 ◽

Vol 136 (7) ◽

pp. 074505 ◽

Cited By ~ 16

Author(s):

Lorenzo Gontrani ◽

Ruggero Caminiti

Keyword(s):

Molecular Simulations ◽

X Ray ◽

X Ray Scattering ◽

Methyl Pyrrolidone ◽

Structure Of Liquid ◽

Ray Scattering

Download Full-text

Crystalline self-assembly of organic molecules with metal ions at the air–aqueous solution interface. A grazing incidence X-ray scattering study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/s0927-7757(02)00112-7 ◽

2002 ◽

Vol 208 (1-3) ◽

pp. 3-27 ◽

Cited By ~ 4

Author(s):

I Weissbuch ◽

R Buller ◽

K Kjaer ◽

J Als-Nielsen ◽

L Leiserowitz ◽

...

Keyword(s):

Aqueous Solution ◽

Metal Ions ◽

Self Assembly ◽

Organic Molecules ◽

Grazing Incidence ◽

X Ray ◽

Solution Interface ◽

X Ray Scattering ◽

Scattering Study ◽

Ray Scattering

Download Full-text

Grazing Incidence Small-Angle X-ray Scattering Analysis of Initial Growth of Planar Organic Molecules Affected by Substrate Surface Energy

The Journal of Physical Chemistry Letters ◽

10.1021/jz200724x ◽

2011 ◽

Vol 2 (14) ◽

pp. 1710-1714 ◽

Cited By ~ 18

Author(s):

Hyo Jung Kim ◽

Ji Whan Kim ◽

Hyun Hwi Lee ◽

Tae-Min Kim ◽

Junhyuk Jang ◽

...

Keyword(s):

Surface Energy ◽

Small Angle ◽

Organic Molecules ◽

Substrate Surface ◽

Grazing Incidence ◽

Initial Growth ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

Correction to “Grazing Incidence Small-Angle X-ray Scattering Analysis of Initial Growth of Planar Organic Molecules Affected by Substrate Surface Energy”

The Journal of Physical Chemistry Letters ◽

10.1021/jz300819v ◽

2012 ◽

Vol 3 (14) ◽

pp. 1853-1853

Author(s):

Hyo Jung Kim ◽

Ji Whan Kim ◽

Hyun Hwi Lee ◽

Tae-Min Kim ◽

Junhyuk Jang ◽

...

Keyword(s):

Surface Energy ◽

Small Angle ◽

Organic Molecules ◽

Substrate Surface ◽

Grazing Incidence ◽

Initial Growth ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

Faculty Opinions recommendation of Interpreting solution X-ray scattering data using molecular simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.732155424.793540851 ◽

2017 ◽

Author(s):

Jeremy C Smith

Keyword(s):

Molecular Simulations ◽

Scattering Data ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

Structural Characterization of a Polymer of Intrinsic Microporosity: X-ray Scattering with Interpretation Enhanced by Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma1024945 ◽

2011 ◽

Vol 44 (1) ◽

pp. 14-16 ◽

Cited By ~ 56

Author(s):

Amanda G. McDermott ◽

Gregory S. Larsen ◽

Peter M. Budd ◽

Coray M. Colina ◽

James Runt

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Characterization ◽

X Ray ◽

X Ray Scattering ◽

Polymer Of Intrinsic Microporosity ◽

Dynamics Simulations ◽

Intrinsic Microporosity ◽

Ray Scattering

Download Full-text

Faculty Opinions recommendation of Interpreting solution X-ray scattering data using molecular simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.732155424.793540881 ◽

2017 ◽

Author(s):

Jeff Wereszczynski

Keyword(s):

Molecular Simulations ◽

Scattering Data ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text

Interpreting solution X-ray scattering data using molecular simulations

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2017.11.002 ◽

2018 ◽

Vol 49 ◽

pp. 18-26 ◽

Cited By ~ 43

Author(s):

Jochen S Hub

Keyword(s):

Molecular Simulations ◽

Scattering Data ◽

X Ray ◽

X Ray Scattering ◽

Ray Scattering

Download Full-text