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Accepting PhD Students

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Personal profile

Research interests

My research uses computational techniques to study the structure and dynamics of biological systems. My aim is to understand biochemical and biophysical processes from a microscopic perspective and thereby aid in interpreting and devising experiments. Matching methods to problems is necessary and requires development, implementation, and optimization of novel simulation tools. Pursuit of this has taken me into a number of branches of theoretical chemistry including quantum chemistry, the theory of electronic structure and intermolecular interactions, statistical mechanics, ab initio and classical computer simulation and spectroscopy. Collaboration with experimentalists from different communities is a crucial part of my research strategy.

Willing to supervise PhD

Education/Academic qualification

PhD in Chemistry, Doctor of Science, University of Exeter


Postgraduate courses in Physical Chemistry, Universidad de Sevilla


Postgraduate Certificate in Academic Practice, King's College London


Licenciatura en Quimica, Master of Chemistry, Universidad de Sevilla


External positions

Visiting Research Academic, University of Oxford

1 Apr 2012 → …


  • Computational Chemistry
  • Computer Simulation
  • Free Energy Methods
  • Enhanced Sampling Techniques
  • QMMM
  • Membrane Proteins
  • Enzymes
  • HPC

Fingerprint Dive into the research topics where Carmen Domene is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Molecular Dynamics Simulation Medicine & Life Sciences
Ions Medicine & Life Sciences
Molecular dynamics Chemical Compounds
Potassium Channels Medicine & Life Sciences
Ion Channels Medicine & Life Sciences
Binding Sites Medicine & Life Sciences
Computer simulation Chemical Compounds
Membrane Proteins Medicine & Life Sciences

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 2017 2018

Research Output 1996 2019

3 Citations (Scopus)
12 Downloads (Pure)

Antibiotic resistance and host immune evasion in Staphylococcus aureus mediated by a metabolic adaptation

Jiang, J-H., Bhuiyan, M. S., Shen, H-H., Cameron, D. R., Rupasinghe, T. W. T., Wu, C-M., Le Brun, A. P., Kostoulias, X., Domene, C., Fulcher, A. J., McConville, M. J., Howden, B. P., Lieschke, G. J. & Peleg, A. Y., 26 Feb 2019, In : Proceedings of the National Academy of Sciences of the United States of America. 116, 9, p. 3722-3727 6 p.

Research output: Contribution to journalArticle

Open Access
2 Citations (Scopus)
27 Downloads (Pure)

Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

Oakes, V. & Domene, C., 8 May 2019, In : Chemical Reviews. 119, 9, p. 5998-6014 17 p.

Research output: Contribution to journalReview article

Open Access

Influence of Cholesterol and its Stereoisomers on Members of the Serotonin Receptor Family

Oakes, V. & Domene, C., 5 Apr 2019, In : Journal of Molecular Biology. 431, 8, p. 1633-1649 17 p.

Research output: Contribution to journalArticle

Insights into the mechanisms of K+ permeation in K+-channels from computer simulations

Oakes, V., Furini, S. & Domene, C., 6 Dec 2019, In : Journal of Chemical Theory and Computation.

Research output: Contribution to journalArticle


Computational Analyses of the Molecular Behaviour of Membrane Proteins

Author: Oakes, V., 3 Apr 2019

Supervisor: Domene, C. (Supervisor) & Williams, I. (Supervisor)

Student thesis: Doctoral ThesisPhD