Projects per year
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 doctoral students
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):
PhD in Chemistry, Doctor of Science, University of Exeter
1998 → 2000
Award Date: 1 Feb 2001
Postgraduate courses in Physical Chemistry, 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
Visiting Research Academic, University of Oxford
1 Apr 2012 → …
- Computational Chemistry
- Computer Simulation
- Free Energy Methods
- Enhanced Sampling Techniques
- Membrane Proteins
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18/03/20 → 17/03/23
Project: Research council
1/09/17 → 29/09/18
Project: Research council
Domene, C., Gonzalez Resines, S., Oakes, V. & Darre Castell, L., 23 May 2022, In: Journal of Chemical Information and Modeling. 62, 10, p. 2481-2489
Research output: Contribution to journal › Article › peer-reviewOpen Access1 Citation (SciVal)
Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric NanoparticlesEspejo-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-reviewOpen Access
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 SpeciesPeris-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-reviewOpen Access8 Citations (SciVal)
Domene, C., Ocello, R., Masetti, M. & Furini, S., 11 Aug 2021, In: Journal of the American Chemical Society. 143, 31, p. 12181-12193 13 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile3 Citations (SciVal)1 Downloads (Pure)
Gonzalez-Resines, S., Quinn, P. J., Naftalin, R. J. & Domene, C., 26 Jul 2021, In: Journal of Chemical Information and Modeling. 61, 7, p. 3559-3570 12 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile2 Citations (SciVal)2 Downloads (Pure)