Items where Division is "Faculties (pre 2018 reorg) > Faculty of Natural and Environmental Sciences (pre 2018 reorg) > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)
Current Faculties > Faculty of Engineering and Physical Sciences > Chemistry and Chemical Engineering > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)
Chemistry and Chemical Engineering > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)" and Year is 2019
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Number of items: 8.
Article
Binding From both sides: TolR and full-length OmpA bind and maintain the local structure of the E. coli cell wall - Alister Boags, Firdaus Samsudin and Syma Khalid
Type: Article
| 2019
Details of hydrophobic entanglement between small molecules and Braun’s lipoprotein within the cavity of the bacterial chaperone LolA - Alister Boags, Firdaus Samsudin and Syma Khalid
Type: Article
| 2019
Mining predicted crystal structure landscapes with high throughput crystallisation: Old molecules, new insights - Peng Cui, David P. Mcmahon, Peter Spackman, Ben M. Alston, Marc A. Little, Graeme M. Day and Andrew I. Cooper
Type: Article
| 2019
Exploring the multi-minima behavior of small molecule crystal polymorphs at finite temperature - Eric C. Dybeck, David P. Mcmahon, Graeme M. Day and Michael R. Shirts
Type: Article
| 2019
From concept to crystals via prediction: Multi‐component organic cage pots by social selfsorting - Rebecca L. Greenaway, Valentina Santolinoi, Angeles Pulido, Marc A. Little, Ben M. Alston, Michael E. Briggs, Graeme M. Day, Andrew I. Cooper and Kim Jelfs
Type: Article
| 2019
Rapid structure determination of molecular solids using chemical shifts directed by unambiguous prior constraints - Albert Hofstetter, Martins Balodis, Federico M. Paruzzo, Cory M. Widdifield, Gabriele Stevanato, Arthur C. Pinon, Peter Bygrave, Graeme M. Day and Lyndon Emsley
Type: Article
| 2019
Movement of arginine through OprD: The energetics of permeation and the role of lipopolysaccharide in directing arginine to the protein - Firdaus Samsudin and Syma Khalid
Type: Article
| 2019
Thesis
Type: Thesis
| 2019
| University of Southampton