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 2021
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Number of items: 13.
Improving fishing vessel stability assessment using cost-effective computing technologies - Nana Okra Kwadwo Abankwa
Type: Thesis
| 2021
| University of Southampton
Computational methods and tools in antimicrobial peptide research - Pietro G.A. Aronica, Lauren, Marie Reid, Nirali Desai, Jianguo Li, Stephen J Fox, Shilpa Yadahalli, Jonathan W. Essex and Chandra Verma
Type: Review
| 2021
Type: Conference or Workshop Item
| 2021
| Item not available on this server.
The automated optimisation of a coarse-grained force field using free energy data - Javier Caceres Delpiano, Lee-Ping Wang and Jonathan W. Essex
Type: Article
| 2021
Type: Dataset
| 2021
| Zenodo
| Item not available on this server.
Coarse-grained molecular dynamics simulations of membrane proteins: a practical guide - William G. Glass, Jonathan W. Essex, Franca Fraternali, Irene Marzuoli, Marley Luke Samways, Philip C. Biggin and Syma Khalid
Type: Book Section
| 2021
| Humana
| Item not available on this server.
Exploring identity assurance as a complex system - Vincent Marmion
Type: Thesis
| 2021
| University of Southampton
Recurrent emergence of SARS-CoV-2 spike deletion H69/V70 and its role in the Alpha variant B.1.1.7 - Kordo Saeed
Type: Article
| 2021
| Item not available on this server.
ParaMol: A package for parametrization of molecular mechanics force fields - Joao Morado, Paul N. Mortenson, Marcel L. Verdonk, Richard A. Ward, Jonathan W. Essex and Chris-Kriton Skylaris
Type: Article
| 2021
Water molecules at protein-drug interfaces: computational prediction and analysis methods - Marley, Luke Samways, Richard D. Taylor, Hannah Bruce Macdonald and Jonathan W. Essex
Type: Article
| 2021
Instantaneous electromagnetic torque waveform calculations for switched reluctance machines exploiting vector analysis - Aleksas Stuikys, Bahareh Zaghari and Jan K. Sykulski
Type: Article
| 2021
Sensitivity of binding free energy calculations to initial protein crystal structure - Miroslav Suruzhon, Michael S. Bodnarchuk, Antonella Ciancetta, Russell Viner, Ian D. Wall and Jonathan W. Essex
Type: Article
| 2021
Rimantadine binds to and inhibits the influenza A M2 proton channel without enantiomeric specificity - Jessica L. Thomaston, Marley, Luke Samways, Athina Konstantinidi, Chunlong Ma, Hu Yanmei, Hannah Bruce Macdonald, Jun Wang, Jonathan W. Essex, William F. DeGrado and Antonios Kolocouris
Type: Article
| 2021