• 1 SOUTH 0.11

Accepting PhD Students

1987 …2019
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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

19982000

Postgraduate courses in Physical Chemistry, Universidad de Sevilla

19961997

Postgraduate Certificate in Academic Practice, King's College London

20132014

Licenciatura en Quimica, Master of Chemistry, Universidad de Sevilla

19901995

External positions

Visiting Research Academic, University of Oxford

1 Apr 2012 → …

Keywords

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

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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 1987 2019

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

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

Research output: Contribution to journalArticle

Open Access
File

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

6 Citations (Scopus)

2-oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2

Domene, C., Abboud, M. I., McAllister, T. E., Leung, I. K. H., Chowdhury, R., Jorgensen, C., Mecinović, J., Lippl, K., Hancock, R. L., Hopkinson, R. J., Kawamura, A., Claridge, T. D. W. & Schofield, C. J., 28 Mar 2018, In : Chemical Communications. 54, 25, p. 3130-3133

Research output: Contribution to journalArticle

Open Access
Prolyl Hydroxylases
Hydroxylation
Animals
Enzymes
Degradation

Exposure of the HIV-1 broadly neutralizing antibody 10E8 MPER epitope on the membrane surface by gp41 transmembrane domain scaffolds

Oakes, V., Torralba, J., Rujas, E., Nieva, J. L., Domene, C. & Apellaniz, B., 1 Jun 2018, In : Biochimica et Biophysica Acta. 1860, 6, p. 1259-1271

Research output: Contribution to journalArticle

Open Access
File
Neutralizing Antibodies
HIV-1
Epitopes
Membranes
Cholesterol