Show/hide main menu

People

Dr Carmen Domene

Carmen-Domene

Reader in Computational Chemistry

Email: carmen.domene@kcl.ac.uk 

Tel: +44 (0)207 848 7541

 Address: Department of Chemistry             King's College London                                   Room 112, Britannia House                              7 Trinity Street                                              London SE1 1DB 

Research Interests and Projects

The group applies principles from quantum mechanics and statistical thermodynamics to model biomolecular phenomena with computer simulations.

Keywords:

  • Computational biophysics
  • biomolecular simulations
  • nanoscale assembly
  • cell membranes
  • protein-protein interactions
  • membrane proteins
  • enzymes

Projects

  • Transport phenomena across membranes
  • Structure and function of membrane proteins
  • Enzymes at work: simulating their modes of action using QMMM methods
  • Oxygen sensing and the hypoxic response
  • Coarse Grain Model Development

Dr Domene's Research Portal 

Research Group: Domene Group

Carmen Domene's group applies principles from quantum mechanics and statistical thermodynamics to model biomolecular phenomena with computer simulations.

Domene Research Page

Selected Publications
  • Free energy of binding of the hypoxia-inducible transcription factor and the von Hippel Lindau suppressor pVHL. C. Domene, C. Jorgensen, K. Vanommeslaeghe, C. Schofield, and A. MacKerell J. Chem. Theory Comput, 2015, 11 (8), 3946-3954
  • Blocking the passage: C60 geometrically clogs Potassium channels. M. Calvaresi, S. Furini, C. Domene, A. Bottoni, F. Zerbetto ACS Nano, 2015, 9 (5), 4827–4834
  • .Antimicrobial peptide dendrimer interacts with phosphocholine membranes in a fluidity dependent manner: a neutron reflection study combined with molecular dynamics simulations. T. K. Lind, L. Darre, C. Domene, Z. Urbanczyk-Lipkowska, M. Cardenas, H. P. WacklinBBA Biomembranes, 2015, 1848(10), 2075-2084.
  • In-silico identification of PAP-1 binding sites in the Kv1.2 potassium channel. C. Jorgensen, L. Darré, K. Vanommeslaeghe, K. Omoto, D. Pryde, C. DomeneMol Pharm, 2015, 12(4),1299-307.
  • Bias-exchange metadynamics simulations: an efficient strategy for the analysis of conduction and selectivity in ion channels.C. Domene, P. Barbini, S, FurniJ. Chem. Theory Comput, 2015, 11 (4), 1896–1906.
  • Permeation and dynamics of an open-activated TRPV1 channelL. Darré, S. Furini, C. DomeneJ Mol Biol., 2015, 427(2), 537-49.
  • Cholesterol-dependent membrane fusion induced by the gp41 Mper-TMD connection suggests a mechanism for broad HIV-1 neutralization. B. Apelláni, E. Rujas, P. Carravilla, N. Huarte, C. Domene, J.L. Nieva J Virology, 2014, JVI 02151-14.
  • DNA recognition process of the lactose repressor protein studied via metadynamics and umbrella sampling simulations. S. Furini and C. DomeneJ Phys Chem B, 2014, 118 (46), 13059-13065.
Sitemap Site help Terms and conditions Privacy policy Accessibility Modern slavery statement Contact us

© 2017 King's College London | Strand | London WC2R 2LS | England | United Kingdom | Tel +44 (0)20 7836 5454