Alchembed: A computational method for incorporating multiple proteins into complex lipid geometries.
J Chem Theo Comp (2015)
Gating topology of the proton coupled oligopeptide symporters.
Nothing to Sneeze At: A Dynamic and Integrative Computational Model of an Influenza A Virion
Insights into the structural nature of the transition state in the Kir channel gating pathway
NRas slows the rate at which a model lipid bilayer phase separates
Faraday Discussions (2014)
Flexible Gates Generate Occluded Intermediates in the Transport Cycle of LacY
J Mol Biol (2014)
Detailed Examination of a Single Conduction Event in a Potassium Channel
J Phys Chem Lett (2013)
Energetics of multi-ion conduction pathways in potassium ion channels
J Chem Theory Comput (2013)
State-dependent network connectivity determines gating in a K+ channel.
Lattice-Gas Simulations of Ternary Amphiphilic Fluid Flow in Porous Media
Int J Mod Phys C (1998)
The pore of voltage-gated potassium ion channels is strained when closed.
Nature Comms (2013)
Alternating access mechanism in the POT family of oligopeptide transporters.
EMBO J (2012)
Exact calculation of peptide-protein binding energies by steered thermodynamic integration using high performance computing grids
Proceedings of the UK e-Science All Hands Meeting (2004)
Insights into how nucleotide-binding domains power ABC transport.
Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.
Methods in Cell Nano Biology (2008)
The selectivity of K+ ion channels: testing the hypotheses.
Biophys J (2008)
Helix-helix interactions in membrane proteins: coarse-grained simulations of glycophorin a helix dimerization.
A Novel Rate Theory Approach To Transport In Ion Channels
AIP Conf Proc (2009)
Rapid, accurate, and precise calculation of relative binding affinities for the SH2 domain using a computational grid
J Chem Theory Comput (2007)
Monotopic enzymes and lipid bilayers: a comparative study.
Qualitative and Quantitative Aspects of Biomolecular Systems Revealed by Large Scale and Grid Computing Methods
A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer.
Biophys J (2006)
Large scale molecular dynamics simulation of native and mutant dihydropteroate synthase-sulphanilamide complexes suggests the molecular basis for dihydropteroate synthase drug resistance.
Phil Trans R Soc Lond A (2005)
Grid-based steered thermodynamic integration accelerates the calculation of binding free energies.
Phil Trans R Soc Lond A (2005)
Modelling biological complexity: a physical scientist's perspective.
J R Soc Lond Interface (2005)
Functional complementation and genetic deletion studies of KirBac channels: activatory mutations highlight gating-sensitive domains.
J Biol Chem (2010)
Crystal structure of a prokaryotic homologue of the mammalian oligopeptide-proton symporters, PepT1 and PepT2.
EMBO J (2011)
H bonding at the helix-bundle crossing controls gating in Kir potassium channels.
Control of pH and PIP2 gating in heteromeric Kir4.1/Kir5.1 channels by H-Bonding at the helix-bundle crossing.
SBCB Unit, Department of Biochemistry, University of Oxford
February 2006 - Present
Junior Research Fellow
St John's College, Oxford
October 2008 - September 2012 (3 years 11 months)
Department of Chemistry, University College London
August 2002 - February 2006 (3 years 6 months)
Clare College, Cambridge
MSci in Natural Sciences (Physics)
October 1994 - June 1998 (3 years 8 months)