Modelling of MOF self-assembly, crystal growth and thin film formation

Project Information

GROWMOF

Grant agreement ID: 648283

DOI 10.3030/648283

Project closed

EC signature date 11 March 2015

Start date 1 August 2015

End date 31 July 2020

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 1 738 715,00

EU contribution € 1 738 715,00

Coordinated by

UNIVERSITY OF BATH
United Kingdom

Publications

Peer reviewed articles (12)

Pressure-induced symmetry changes in body-centred cubic zeolites

Author(s): Antony Nearchou, Mero-Lee U. Cornelius, Zöe L. Jones, I. E. Collings, Stephen A. Wells, Paul R. Raithby, Asel Sartbaeva
Published in: Royal Society Open Science, Issue 6/7, 2019, Page(s) 182158, ISSN 2054-5703
Publisher: Royal Society of Chemistry
DOI: 10.1098/rsos.182158

Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)

Author(s): Megan Thompson, Claire Hobday, Irene Senkovska, Volodymyr Bon, Sebastian Ehrling, Mariia Maliuta, Stefan Kaskel and Tina Düren
Published in: Journal of Materials Chemistry A, 2020, ISSN 2050-7496
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0ta07775e

Ultra-large supramolecular coordination cages composed of endohedral Archimedean and Platonic bodies

Author(s): Kevin Byrne, Muhammad Zubair, Nianyong Zhu, Xiao-Ping Zhou, Daniel S. Fox, Hongzhou Zhang, Brendan Twamley, Matthew J. Lennox, Tina Düren, Wolfgang Schmitt
Published in: Nature Communications, Issue 8, 2017, Page(s) 15268, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/ncomms15268

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Author(s): Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach
Published in: Nature Communications, Issue 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-03878-6

Framework Isomerism: Highly Augmented Copper(II)-Paddlewheel--Based MOF with Unusual (3,4)-Net Topology

Author(s): Nianyong Zhu, Debobroto Sensharma, Paul Wix, Matthew J. Lennox, Tina Düren, Wai-Yeung Wong, and Wolfgang Schmitt
Published in: European Journal of Inorganic Chemistry, Issue 13-14, 2016, Page(s) 1939–1943, ISSN 1434-1948
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/ejic.201501194

Structure and function of L -threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations

Author(s): Eyram Adjogatse, Peter Erskine, Stephen A. Wells, John M. Kelly, Jonathan D. Wilden, A. W. Edith Chan, David Selwood, Alun Coker, Steve Wood, Jonathan B. Cooper
Published in: Acta Crystallographica Section D Structural Biology, Issue 74/9, 2018, Page(s) 861-876, ISSN 2059-7983
Publisher: Wiley
DOI: 10.1107/s2059798318009208

Exposing the Interplay Between Enzyme Turnover, Protein Dynamics, and the Membrane Environment in Monoamine Oxidase B

Author(s): Hannah B. L. Jones, Rory M. Crean, Anna Mullen, Emanuele G. Kendrick, Steven D. Bull, Stephen A. Wells, David R. Carbery, Fraser MacMillan, Marc W. van der Kamp, Christopher R. Pudney
Published in: Biochemistry, Issue 58/18, 2019, Page(s) 2362-2372, ISSN 0006-2960
Publisher: American Chemical Society
DOI: 10.1021/acs.biochem.9b00213

Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

Author(s): Stephen A. Wells, Naomi F. Cessford, Nigel A. Seaton, Tina Düren
Published in: RSC Advances, Issue 9/25, 2019, Page(s) 14382-14390, ISSN 2046-2069
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9ra01504c

Thermal stability, storage and release of proteins with tailored fit in silica

Author(s): Yun-Chu Chen, Tristan Smith, Robert H. Hicks, Aswin Doekhie, Francoise Koumanov, Stephen A. Wells, Karen J. Edler, Jean van den Elsen, Geoffrey D. Holman, Kevin J. Marchbank, Asel Sartbaeva
Published in: Scientific Reports, Issue 7/1, 2017, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/srep46568

Defining the flexibility window in ordered aluminosilicate zeolites

Author(s): Stephen A. Wells, Ka Ming Leung, Peter P. Edwards, Matt G. Tucker, Asel Sartbaeva
Published in: Royal Society Open Science, Issue 4/9, 2017, Page(s) 170757, ISSN 2054-5703
Publisher: Royal Society of Chemistry
DOI: 10.1098/rsos.170757

TCR‐induced alteration of primary MHC peptide anchor residue

Author(s): Florian Madura, Pierre J. Rizkallah, Mateusz Legut, Christopher J. Holland, Anna Fuller, Anna Bulek, Andrea J. Schauenburg, Andrew Trimby, Jade R. Hopkins, Stephen A. Wells, Andrew Godkin, John J. Miles, Malkit Sami, Yi Li, Nathaniel Liddy, Bent K. Jakobsen, E. Joel Loveridge, David K. Cole, Andrew K. Sewell
Published in: European Journal of Immunology, 2019, ISSN 0014-2980
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/eji.201948085

Understanding CO 2 /CH 4 Separation in Pristine and Defective 2D MOF CuBDC Nanosheets via Nonequilibrium Molecular Dynamics

Author(s): Merilent T. Kallo, Matthew J. Lennox
Published in: Langmuir, Issue 36/45, 2020, Page(s) 13591-13600, ISSN 0743-7463
Publisher: American Chemical Society
DOI: 10.1021/acs.langmuir.0c02434

Other (2)

Rigidity, normal modes and flexible motion of a SARS-CoV-2 (COVID-19) protease structure

Author(s): Stephen A. Wells
Published in: 2020
Publisher: biorxiv
DOI: 10.1101/2020.03.10.986190

Bayesian Screening: Multi-test Bayesian Optimization Applied to in silico Material Screening

Author(s): James Hook, Calum Hand, Emma Whitfield
Published in: arXiv.org, 2020
Publisher: Cornell University