Projects per year
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.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
PhD in Chemistry, Doctor of Science, University of Exeter
1998 → 2000
Award Date: 1 Feb 2001
Postgraduate courses in Physical Chemistry, Postgraduate Courses, Universidad de Sevilla
1996 → 1997
Award Date: 1 Jul 1997
Postgraduate Certificate in Academic Practice, King's College London
2013 → 2014
Licenciatura en Quimica, Master of Chemistry, Universidad de Sevilla
1990 → 1995
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
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Projects
- 2 Finished
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Insights on TRP gating and inhibition by exogenous and endogenous modulators
18/03/20 → 17/03/23
Project: Research council
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Newton Advanced Fellowship - Investigation of Conduction and Gating Properties of Membrane Proteins
1/09/17 → 29/09/18
Project: Research council
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Early Steps in C-Type Inactivation of the hERG Potassium Channel
Pettini, F., Domene, C. & Furini, S., 9 Jan 2023, In: Journal of Chemical Information and Modeling. 63, 1, p. 251-258Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (SciVal) -
Redox regulation of KV7 channels through EF3 hand of calmodulin
Nuñez, E., Jones, F., Muguruza-Montero, A., Urrutia, J., Aguado, A., Malo, C., Bernardo-Seisdedos, G., Domene, C., Millet, O., Gamper, N. & Villarroel, A., 20 Feb 2023, In: eLife. 12, e81961.Research output: Contribution to journal › Article › peer-review
Open Access -
A potential route of capsaicin to its binding site in the TRPV1 ion channel
Domene, C., Gonzalez Resines, S., Oakes, V. & Darre Castell, L., 23 May 2022, In: Journal of Chemical Information and Modeling. 62, 10, p. 2481-2489Research output: Contribution to journal › Article › peer-review
Open Access2 Citations (SciVal) -
Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric Nanoparticles
Espejo-román, J. M., Rubio-Ruiz, B., Cano-Cortés, V., Cruz-López, O., Gonzalez-resines, S., Domene, C., Conejo-García, A. & Sánchez-Martín, R. M., 4 Apr 2022, In: Pharmaceutics. 14, 4, 788.Research output: Contribution to journal › Article › peer-review
Open Access2 Citations (SciVal) -
An Integrated Mass Spectrometry and Molecular Dynamics Simulations Approach Reveals the Spatial Organization Impact of Metal-Binding Sites on the Stability of Metal-Depleted Metallothionein-2 Species
Peris-Díaz, M. D., Guran, R., Domene, C., de Los Rios, V., Zitka, O., Adam, V. & Krężel, A., 13 Oct 2021, In: Journal of the American Chemical Society. 143, 40, p. 16486-16501 16 p.Research output: Contribution to journal › Article › peer-review
Open Access19 Citations (SciVal)