Research output per year
Research output per year
Organization profile
Profile Information
The activities of this Centre focus on supramolecular and structural chemistry with a specific interest in the formation of transition metal complexes and/or the structural characterisation of these metal containing species. In addition, dynamic modelling of molecules and their interaction with the environment, biological and other molecules is a new development in this centre. The Centres activities include:
- X-ray diffraction
- Molecular self assembly
- Coordination chemistry
- Solid state chemistry
- Novel semi-conductor materials
- Structural characterisation
- Dynamic modelling in silico
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Dive into the research topics where Structural, Molecular and Dynamic Modelling Centre is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
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Profiles
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David Cooke
- Department of Chemical Sciences - Subject Leader (Natural and Chemical Sciences)
- School of Applied Sciences
- Structural, Molecular and Dynamic Modelling Centre - Member
- Centre for Functional Materials - Associate Member
- Centre for Engineering Materials - Associate Member
Person: Academic
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Christopher Cooper
- Department of Biological and Geographical Sciences - Senior Lecturer
- School of Applied Sciences
- Centre for Biomarker Research - Associate Member
- Cellular and Molecular Models of Disease Centre - Member
- Structural, Molecular and Dynamic Modelling Centre
Person: Academic
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Lande Liu
- Department of Chemical Sciences - Senior Lecturer in Chemical Engineering
- School of Applied Sciences
- Structural, Molecular and Dynamic Modelling Centre - Member
Person: Academic
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An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+1TinO3n+1 (n = 1–3)
Wood, N. D., Teter, D. M., Tse, J., Jackson, R. A., Cooke, D., Gillie, L., Parker, S. & Molinari, M., 1 Nov 2021, In: Journal of Solid State Chemistry. 303, 17 p., 122523.Research output: Contribution to journal › Article › peer-review
Open Access -
A new chapter for a better Bioscience Reports
Cooper, C. D. O. & Han, W., 17 May 2021, In: Bioscience Reports. 41, 5, 7 p., BSR20211016.Research output: Contribution to journal › Editorial › peer-review
2 Citations (Scopus) -
Crystal structure and molecular dynamics of human POLDIP2, a multifaceted adaptor protein in metabolism and genome stability
Kulik, A., Maruszczak, K., Thomas, D., Nabi, N., Carr, M., Bingham, R. & Cooper, C., 1 Jun 2021, In: Protein Science. 30, 6, p. 1196-1209 14 p.Research output: Contribution to journal › Article › peer-review
Open Access
Activities
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Engineering the polyaniline:SrTiO3 interface: A density functional theory study
Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
15 Jul 2021Activity: Talk or presentation types › Poster presentation
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Adsorption of water, carbon dioxide and hydrogen on PuO2: A density functional theory study
Samuel Moxon (Speaker), Stephen Parker (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
13 Apr 2021Activity: Talk or presentation types › Oral presentation
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Partial-charge rigid-ion potential model for describing the defect chemistry of SrTiO3
Nathan Wood (Speaker), David M. Teter (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), Robert A. Jackson (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation), Stephen C. Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
5 Apr 2021Activity: Talk or presentation types › Poster presentation