Items where Division is "Current Faculties > Faculty of Engineering and Physical Sciences > Chemistry and Chemical Engineering > Complex Systems Simulation DTC
Chemistry and Chemical Engineering > Complex Systems Simulation DTC" and Year is 2020
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Number of items: 16.
The role of electrostatics in enzymes: do biomolecular force fields reflect protein electric fields? - Richard Bradshaw, Jacek Dziedzic, Chris-Kriton Skylaris and Jonathan W. Essex
Type: Article
| 2020
Molecular dynamics simulations of antibiotic ceftaroline at the allosteric site of penicillin‐binding protein 2a (PBP2a) - Ying-Chih Chiang, Mabel, Tung Yuet Wong and Jonathan W. Essex
Type: Article
| 2020
Type: Dataset
| 2020
| Zenodo
| Item not available on this server.
Barriers and facilitators to primary healthcare for people with intellectual disabilities and/or autism: an integrative review - Alison Jayne Doherty, Helen Atherton, Paul Boland, Richard Hastings, Lucy Hives, Kerry Hood, Lynn James-Jenkinson, Ralph Leavey, Elizabeth Randell, Janet Reed, Laurence Taggart, Neil Wilson and Umesh Chauhan
Type: Article
| 2020
Type: Dataset
| 2020
| Zenodo
| Item not available on this server.
Type: Dataset
| 2020
| Zenodo
| Item not available on this server.
Impact of direct-acting antiviral agents on liver function in patients with chronic hepatitis C virus infection - Philip J. Johnson, Sarah Berhane, Alex J. Walker, Fiona H. Gordon, Steven D. Ryder, Stuart McPherson, Aravamuthan Sreedharan, Andrew A. Ustianowski, Kosh Agarwal, David Mutimer, Takeshi Kumada, Hidenori Toyoda and William L. Irving
Type: Article
| 2020
Type: Dataset
| 2020
| Zenodo
| Item not available on this server.
Type: Dataset
| 2020
| Zenodo
| Item not available on this server.
grand: a Python module for grand canonical water sampling in OpenMM - Marley Luke Samways, Hannah Bruce Macdonald and Jonathan W. Essex
Type: Article
| 2020
BRIDGE an open platform for reproducible high throughput free energy simulations - Tharindu Senapathi, Miroslav Suruzhon, Christopher B. Barnett, Jonathan W. Essex and Kevin J. Naidoo
Type: Article
| 2020
Type: Thesis
| 2020
| University of Southampton
Average rated torque calculations for switched reluctance machines based on vector analysis - Aleksas Stuikys and Jan Sykulski
Type: Book Section
| 2020
| IntechOpen
ProtoCaller: robust automation of binding free energy calculations - Miroslav Suruzhon, Tharindu Senapathi, Michael S. Bodnarchuk, Russell Viner, Ian D. Wall, Christopher B. Barnett, Kevin J. Naidoo and Jonathan W. Essex
Type: Article
| 2020
Prioritising conservation actions for biodiversity: Lessening the impact from habitat fragmentation and climate change - Nicholas W. Synes, Aurore Ponchon, Stephen C.f. Palmer, Patrick E. Osborne, Greta Bocedi, Justin M.j. Travis and Kevin Watts
Type: Article
| 2020
Efficient energy conversion in electrically assisted bicycles using a switched reluctance machine under torque control - Bahareh Zaghari, Aleksas Stuikys, Alex S. Weddell and Steve Beeby
Type: Article
| 2020