Peter V Coveney

发表

WEDS: a Web services-based environment for distributed simulation

Jamie Vicary, Peter V Coveney, Jonathan Chin, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Multiscale modelling: approaches and challenges

Sergey Karabasov, Dmitry Nerukh, Bastien Chopard, 2014, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Modelling biological complexity: a physical scientist's perspective

Peter V Coveney, Philip W Fowler, P. Coveney, 2005, Journal of The Royal Society Interface.

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

Derek Groen, James Hetherington, Peter V Coveney, 2012, Interface Focus.

Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration.

Peter V Coveney, Shunzhou Wan, Agastya P Bhati, 2017, Journal of chemical theory and computation.

Patient-specific simulation as a basis for clinical decision-making

Peter V Coveney, Steven Manos, S Kashif Sadiq, 2008, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Discrete simulation of fluid dynamics: applications

Sauro Succi, Stefano Ubertini, Peter V Coveney, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Computational vaccinology: quantitative approaches.

Pingping Guan, Debra J. Taylor, Peter V Coveney, 2003, Novartis Foundation symposium.

Large–scale grid–enabled lattice Boltzmann simulations of complex fluid flow in porous media and under shear

Peter V Coveney, Jens Harting, Maddalena Venturoli, 2003, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

On the usability of grid middleware and security mechanisms

Peter V Coveney, Stefan J Zasada, Ali N Haidar, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation Threshold

Peter V Coveney, Robert C. Sinclair, Robert C Sinclair, 2019, J. Chem. Inf. Model..

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

Peter V Coveney, Stefan J Zasada, Bruce Beckles, 2011, Interface Focus.

A vision and strategy for the virtual physiological human in 2010 and beyond

Alfio Quarteroni, Marco Viceconti, Alejandro F Frangi, 2010, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Multiscale modelling, simulation and computing: from the desktop to the exascale

Peter V Coveney, Simon Portegies Zwart, Alfons G Hoekstra, 2019, Philosophical Transactions of the Royal Society A.

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

Peter V Coveney, David W Wright, Andrea Townsend-Nicholson, 2017, Journal of chemical theory and computation.

Discrete simulation of fluid dynamics: methods

Sauro Succi, Stefano Ubertini, Peter V Coveney, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

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

Peter V Coveney, Shunzhou Wan, Matthew N Davies, 2010, Immunome research.

Developmental and physiological circuits: dissecting complexity. A report on a talk given by Dr Leroy Hood

Peter V Coveney, John Skår, P. Coveney, 2003, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

A vision and strategy for the virtual physiological human: 2012 update

Alfio Quarteroni, Marco Viceconti, Nour Shublaq, 2013, Interface Focus.

Uncertainty Quantification in Alchemical Free Energy Methods

Peter V Coveney, Shunzhou Wan, Yuan Hu, 2018, Journal of chemical theory and computation.

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

Peter V Coveney, Shunzhou Wan, Agastya P Bhati, 2016, Journal of chemical theory and computation.

A Comparison of the Bravyi–Kitaev and Jordan–Wigner Transformations for the Quantum Simulation of Quantum Chemistry

Peter V Coveney, Florian Mintert, Peter J Love, 2018, Journal of chemical theory and computation.

Hybrid molecular-continuum fluid models: implementation within a general coupling framework

Rafael Delgado-Buscalioni, Peter V Coveney, Graham D Riley, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Scientific Grid computing

Peter V Coveney, P. Coveney, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Grid-based steered thermodynamic integration accelerates the calculation of binding free energies

Shantenu Jha, Peter V Coveney, Philip W Fowler, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Petascale lattice-Boltzmann studies of amphiphilic cubic liquid crystalline materials in a globally distributed high-performance computing and visualization environment

Peter V Coveney, Marco D Mazzeo, Stefan J Zasada, 2010, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Molecular dynamics simulations: bring biomolecular structures alive on a computer.

Peter V Coveney, Shunzhou Wan, Darren R Flower, 2007, Methods in molecular biology.

Unstable periodic orbits in the Lorenz attractor

Peter V Coveney, Jonas Lätt, Aaron J. Brown, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases.

Peter V Coveney, S Kashif Sadiq, P. Coveney, 2008, Journal of the American Chemical Society.

A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer.

Peter V Coveney, Philip W Fowler, P. Coveney, 2006, Biophysical journal.

Patient‐Specific Modelling in Drug Design, Development and Selection Including its Role in Clinical Decision‐Making

Nour Shublaq, Peter V Coveney, Clare Sansom, 2013, Chemical biology & drug design.

Galilean-invariant lattice-Boltzmann models with H theorem.

Sauro Succi, Jeffrey Yepez, Peter V Coveney, 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

The virtual physiological human: building a framework for computational biomedicine I. Editorial.

Gordon Clapworthy, Marco Viceconti, Peter Kohl, 2008, Philosophical transactions. Series A, Mathematical, physical, and engineering sciences.

Flux boundary conditions in particle simulations.

Rafael Delgado-Buscalioni, Peter V Coveney, P. Coveney, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

Self–organization and complexity: a new age for theory, computation and experiment

Peter V Coveney, P. Coveney, 2003, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

New variational principles for locating periodic orbits of differential equations

Peter V Coveney, Jonas Lätt, P. Coveney, 2011, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Ensemble-Based Steered Molecular Dynamics Predicts Relative Residence Time of A2A Receptor Binders.

Peter V Coveney, Fouad S. Husseini, Alexander Heifetz, 2019, Journal of chemical theory and computation.

Lattice Boltzmann study of spinodal decomposition in two dimensions.

Peter V Coveney, Jonathan Chin, P. Coveney, 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

Non-canonical Wnt signalling modulates the endothelial shear stress flow sensor in vascular remodelling

Holger Gerhardt, Peter V Coveney, Terry P Yamaguchi, 2016, eLife.

Monotopic enzymes and lipid bilayers: a comparative study.

Peter V Coveney, Philip W Fowler, Kia Balali-Mood, 2007, Biochemistry.

Large scale molecular dynamics simulation of native and mutant dihydropteroate synthase–sulphanilamide complexes suggests the molecular basis for dihydropteroate synthase drug resistance

Peter V Coveney, Philip W Fowler, Mansoor Saqi, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

A critical appraisal of polymer-clay nanocomposites.

Andrew Whiting, Peter V Coveney, Pascal Boulet, 2008, Chemical Society reviews.

Towards the design of new and improved drilling fluid additives using molecular dynamics simulations.

Peter V Coveney, Richard L. Anderson, Richard L Anderson, 2010, Anais da Academia Brasileira de Ciencias.

Rapid, Accurate, and Precise Calculation of Relative Binding Affinities for the SH2 Domain Using a Computational Grid.

Shantenu Jha, Peter V Coveney, Gabriel Waksman, 2007, Journal of chemical theory and computation.

Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson–Boltzmann and linear interaction energy approximations

Peter V Coveney, Shunzhou Wan, Darren R Flower, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Disentangling steric and electrostatic factors in nanoscale transport through confined space.

Andre Marziali, Peter V Coveney, Stefan Howorka, 2013, Nano letters.

Stress response and structural transitions in sheared gyroidal and lamellar amphiphilic mesophases: Lattice-Boltzmann simulations.

Peter V Coveney, Jens Harting, Nélido González-Segredo, 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

Insights into a mutation-assisted lateral drug escape mechanism from the HIV-1 protease active site.

Peter V Coveney, Shunzhou Wan, S Kashif Sadiq, 2007, Biochemistry.

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

Peter V Coveney, Neil Dalchau, P. Coveney, 2017, Scientific Reports.

On the calculation of equilibrium thermodynamic properties from molecular dynamics.

Peter V Coveney, Shunzhou Wan, P. Coveney, 2016, Physical chemistry chemical physics : PCCP.

Energy controlled insertion of polar molecules in dense fluids.

Gianni De Fabritiis, Rafael Delgado-Buscalioni, Peter V Coveney, 2004, The Journal of chemical physics.

Mechanism of Exfoliation and Prediction of Materials Properties of Clay-Polymer Nanocomposites from Multiscale Modeling.

Derek Groen, Peter V Coveney, J. L. Suter, 2015, Nano letters.

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

Peter V Coveney, Shunzhou Wan, P. Coveney, 2011, Journal of The Royal Society Interface.

Principles Governing Control of Aggregation and Dispersion of Graphene and Graphene Oxide in Polymer Melts

Peter V Coveney, Robert C. Sinclair, Robert C Sinclair, 2020, Advanced materials.

Choice of boundary condition for lattice-Boltzmann simulation of moderate-Reynolds-number flow in complex domains.

Derek Groen, James Hetherington, Peter V Coveney, 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

The virtual physiological human: tools and applications I

David Gavaghan, Peter Kohl, Peter V Coveney, 2009, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Coarsening dynamics of ternary amphiphilic fluids and the self-assembly of the gyroid and sponge mesophases: Lattice-Boltzmann simulations.

Peter V Coveney, Nélido González-Segredo, 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

Three-dimensional lattice-Boltzmann simulations of critical spinodal decomposition in binary immiscible fluids.

Peter V Coveney, Maziar Nekovee, Nélido González-Segredo, 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

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

Peter V Coveney, Timm Krüger, P. Coveney, 2014, Biomicrofluidics.

Graphene–Graphene Interactions: Friction, Superlubricity, and Exfoliation

Peter V Coveney, Robert C. Sinclair, Robert C Sinclair, 2018, Advanced materials.