Rapid and accurate ranking of binding affinities of epidermal growth factor receptor sequences with selected lung cancer drugs

Por Wan, Shunzhou, Coveney, Peter V.
Publicado em 2011

A Computational Protocol for the Integration of the Monotopic Protein Prostaglandin H2 Synthase into a Phospholipid Bilayer

Por Fowler, Philip W., Coveney, Peter V.
Publicado em 2006

Modelling biological complexity: a physical scientist's perspective

Por Coveney, Peter V, Fowler, Philip W
Publicado em 2005

Deformability-based red blood cell separation in deterministic lateral displacement devices—A simulation study

Por Krüger, Timm, Holmes, David, Coveney, Peter V.
Publicado no Biomicrofluidics (2014)

Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force

Por Martin, Hugh S C, Jha, Shantenu, Coveney, Peter V
Publicado no J Comput Chem (2014)

Chemically Specific Multiscale Modeling of Clay–Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties

Por Suter, James L, Groen, Derek, Coveney*, Peter V
Publicado no Adv Mater (2015)

Host genotype and time dependent antigen presentation of viral peptides: predictions from theory

Por Eccleston, R. Charlotte, Coveney, Peter V., Dalchau, Neil
Publicado no Sci Rep (2017)

Big data need big theory too

Por Coveney, Peter V., Dougherty, Edward R., Highfield, Roger R.
Publicado no Philos Trans A Math Phys Eng Sci (2016)

The Role of Multiscale Protein Dynamics in Antigen Presentation and T Lymphocyte Recognition

Por Eccleston, R. Charlotte, Wan, Shunzhou, Dalchau, Neil, Coveney, Peter V.
Publicado no Front Immunol (2017)

The Virtual Physiological Human

Por Coveney, Peter V., Diaz, Vanessa, Hunter, Peter, Kohl, Peter, Viceconti, Marco
Publicado em 2011

Global Conformational Dynamics of HIV-1 Reverse Transcriptase Bound to Non-Nucleoside Inhibitors

Por Wright, David W., Hall, Benjamin A., Kellam, Paul, Coveney, Peter V.
Publicado em 2012

Multiscale modelling: approaches and challenges

Por Karabasov, Sergey, Nerukh, Dmitry, Hoekstra, Alfons, Chopard, Bastien, Coveney, Peter V.
Publicado em 2014

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

Por Wright, David W., Hall, Benjamin A., Kenway, Owain A., Jha, Shantenu, Coveney, Peter V.
Publicado em 2014

An Ensemble-Based Protocol for the Computational Prediction of Helix–Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics

Por Altwaijry, Nojood A., Baron, Michael, Wright, David W., Coveney, Peter V., Townsend-Nicholson, Andrea
Publicado no J Chem Theory Comput (2017)

T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges

Por Flower, Darren R, Phadwal, Kanchan, Macdonald, Isabel K, Coveney, Peter V, Davies, Matthew N, Wan, Shunzhou
Publicado em 2010

Integrative approaches to computational biomedicine

Por Coveney, Peter V., Diaz-Zuccarini, Vanessa, Graf, Norbert, Hunter, Peter, Kohl, Peter, Tegner, Jesper, Viceconti, Marco
Publicado em 2013

Audited credential delegation: a usable security solution for the virtual physiological human toolkit

Por Haidar, Ali N., Zasada, Stefan J., Coveney, Peter V., Abdallah, Ali E., Beckles, Bruce, Jones, Mike A. S.
Publicado em 2011

Conformational Effects on the pro-S Hydrogen Abstraction Reaction in Cyclooxygenase-1: An Integrated QM/MM and MD Study

Por Christov, Christo Z., Lodola, Alessio, Karabencheva-Christova, Tatyana G., Wan, Shunzhou, Coveney, Peter V., Mulholland, Adrian J.
Publicado em 2013

Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study

Por Wan, Shunzhou, Bhati, Agastya P., Zasada, Stefan J., Wall, Ian, Green, Darren, Bamborough, Paul, Coveney, Peter V.
Publicado no J Chem Theory Comput (2016)

Impact of blood rheology on wall shear stress in a model of the middle cerebral artery

Por Bernabeu, Miguel O., Nash, Rupert W., Groen, Derek, Carver, Hywel B., Hetherington, James, Krüger, Timm, Coveney, Peter V.
Publicado em 2013