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Items where Division is "Current Faculties > Faculty of Engineering and Physical Sciences > School of Chemistry > Complex Systems Simulation DTC
School of Chemistry > Complex Systems Simulation DTC" and Year is 2021

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Group by: No Grouping | Authors/Creators | Item Type
Number of items: 13.

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

DD-04 - Spin-Polarised Current Bloch Point Manipulation - Marijan Beg, Hans Fangohr and Martin Lang
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.

Type: Thesis | 2021 | University of Southampton

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

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

This list was generated on Tue Jul 23 02:02:14 2024 BST.
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