Research output per year
Research output per year
Personal profile
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):
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Variational Kinetic Clustering of Complex Networks
Koskin, V., Kells, A., Clayton, J., Hartmann, A. K., Annibale, A. & Rosta, E., 14 Mar 2023, In: Journal of Chemical Physics. 158, 10, 104112.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (Scopus)56 Downloads (Pure) -
Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics
Badaoui, M., Buigues, P. J., Berta, D., Mandana, G. M., Gu, H., Földes, T., Dickson, C. J., Hornak, V., Kato, M., Molteni, C., Parsons, S. & Rosta, E., 12 Apr 2022, In: Journal of Chemical Theory and Computation. 18, 4, p. 2543-2555 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile22 Citations (Scopus)142 Downloads (Pure) -
Mechanistic study of an immobilized molecular electrocatalyst by in situ gap-plasmon-assisted spectro-electrochemistry
Wright, D., Lin, Q., Berta, D., Földes, T., Wagner, A., Griffiths, J., Readman, C., Rosta, E., Reisner, E. & Baumberg, J. J., Feb 2021, In: Nature Catalysis. 4, 2, p. 157-163 7 p.Research output: Contribution to journal › Article › peer-review
46 Citations (Scopus) -
Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis
Sicard, F., Koskin, V., Annibale, A. & Rosta, E., 13 Apr 2021, In: Journal of Chemical Theory and Computation. 17, 4, p. 2022-2033 12 p.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
Breaking the Selection Rules of Spin-Forbidden Molecular Absorption in Plasmonic Nanocavities
Ojambati, O. S., Deacon, W. M., Chikkaraddy, R., Readman, C., Lin, Q., Koczor-Benda, Z., Rosta, E., Scherman, O. A. & Baumberg, J. J., 16 Sept 2020, In: ACS Photonics. 7, 9, p. 2337-2342 6 p.Research output: Contribution to journal › Article › peer-review
16 Citations (Scopus)
Projects
- 25 Finished
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THOR: TeraHertz detection enabled by mOleculaR optomechanics
Rosta, E. (Primary Investigator)
1/03/2019 → 28/02/2022
Project: Research
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Novel Enhanced Sampling Methods in Multiscale Modeling
Rosta, E. (Primary Investigator)
EPSRC Engineering and Physical Sciences Research Council
1/10/2018 → 30/09/2023
Project: Research
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BioNet - Dynamical Redesign of Biomolecular Networks
Rosta, E. (Primary Investigator)
1/02/2018 → 31/01/2023
Project: Research
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Novel Enhanced Sampling Methods in Multiscale Modelling
Rosta, E. (Primary Investigator)
1/11/2017 → 31/10/2022
Project: Research
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Structure and Mechanism of CRISPR-Cas1 Enzyme: Computational Insights
Rosta, E. (Primary Investigator)
1/10/2017 → 30/09/2019
Project: Research
Datasets
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A Dynamic and Responsive Host in Action: Light-Controlled Molecular Encapsulation - Part 2
Ryan, S. T. J., Del Barrio, J., Ryan, D. F., Scherman, O. A., Suardíaz, R. & Rosta, E., King's College London, 2 Mar 2022
DOI: 10.18742/16553784.v1, https://kcl.figshare.com/articles/dataset/A_Dynamic_and_Responsive_Host_in_Action_Light-Controlled_Molecular_Encapsulation_-_Part_2/16553784/1
Dataset
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Structural Characterization of Arginine Fingers - Identification of an Arginine Finger for the Pyrophosphatase dUTPases - Part 2
Suardíaz, R., Rosta, E., Nagy, G., Lopata, A., Ozohanics, O., Vékey, K., Brooks, B. R., Leveles, I., Tóth, J. & Vértessy, B. G., King's College London, 2 Mar 2022
DOI: 10.18742/16558074, https://kcl.figshare.com/articles/dataset/Structural_Characterization_of_Arginine_Fingers_-_Identification_of_an_Arginine_Finger_for_the_Pyrophosphatase_dUTPases_-_Part_2/16558074/1
Dataset
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A Dynamic and Responsive Host in Action Light-Controlled Molecular Encapsulation
Ryan, S. T. J., Del Barrio, J., Ryan, D. F., Scherman, O. A., Suardíaz, R. & Rosta, E., King's College London, 28 Sept 2016
DOI: 10.18742/rdm01-51, https://kcl.figshare.com/articles/dataset/A_Dynamic_and_Responsive_Host_in_Action_Light-Controlled_Molecular_Encapsulation/16473651
Dataset
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Structural Characterization of Arginine Fingers - Identification of an Arginine Finger for the Pyrophosphatase dUTPases
Suardíaz, R., Rosta, E., Nagy, G. N., Lopata, A., Ozohanics, O., Vékey, K., Brooks, B. R., Leveles, I., Toth, J. & Vértessy, B. G., King's College London, 31 Oct 2016
DOI: 10.18742/rdm01-77, https://kcl.figshare.com/articles/dataset/Structural_Characterization_of_Arginine_Fingers_-_Identification_of_an_Arginine_Finger_for_the_Pyrophosphatase_dUTPases/16473666
Dataset
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Files associated with free energy calculations of 1st and 2nd step of the reaction mechanism
Suardíaz, R., Rosta, E., Saura, P., Masgrau, L., González-Lafont, À. & Lluch, J. M., King's College London, 21 Jun 2017
DOI: 10.18742/rdm01-204, https://kcl.figshare.com/articles/dataset/Files_associated_with_free_energy_calculations_of_1st_and_2nd_step_of_the_reaction_mechanism/16473714
Dataset